4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine

C131H143F16NO10S — CID 160957362

IUPAC4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine
SMILESCOc1ccc(C(C)c2cc(C(C)(C)c3ccc(C(C)(C)c4ccc(O)c(C)c4)cc3)ccc2O)cc1.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccc(C=O)cc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccncc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccsc4)c3)cc2)ccc1O.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C34H38O3.C34H36O3.C32H35NO2.C31H34O2S.8F2/c1-22-20-27(14-18-31(22)35)33(3,4)25-10-12-26(13-11-25)34(5,6)28-15-19-32(36)30(21-28)23(2)24-8-16-29(37-7)17-9-24;1-22-19-28(15-17-31(22)36)33(3,4)26-11-13-27(14-12-26)34(5,6)29-16-18-32(37)30(20-29)23(2)25-9-7-24(21-35)8-10-25;1-21-19-26(11-13-29(21)34)31(3,4)24-7-9-25(10-8-24)32(5,6)27-12-14-30(35)28(20-27)22(2)23-15-17-33-18-16-23;1-20-17-25(11-13-28(20)32)30(3,4)23-7-9-24(10-8-23)31(5,6)26-12-14-29(33)27(18-26)21(2)22-15-16-34-19-22;8*1-2/h8-21,23,35-36H,1-7H3;7-21,23,36-37H,1-6H3;7-20,22,34-35H,1-6H3;7-19,21,32-33H,1-6H3;;;;;;;;
InChIKeySWOIJYVIWPRACZ-UHFFFAOYSA-N
MW2227.62 g/mol
LogP38.84
Rot. Bonds26

About 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine

4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine (PubChem CID 160957362) has the molecular formula C131H143F16NO10S and a molecular weight of 2227.62 g/mol. Its IUPAC name is 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine.

Molecular Properties

Compound Name4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine
PubChem CID160957362
Molecular FormulaC131H143F16NO10S
Molecular Weight2227.62 g/mol
Exact Mass2226.02
IUPAC Name4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine
SMILESCOc1ccc(C(C)c2cc(C(C)(C)c3ccc(C(C)(C)c4ccc(O)c(C)c4)cc3)ccc2O)cc1.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccc(C=O)cc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccncc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccsc4)c3)cc2)ccc1O.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C34H38O3.C34H36O3.C32H35NO2.C31H34O2S.8F2/c1-22-20-27(14-18-31(22)35)33(3,4)25-10-12-26(13-11-25)34(5,6)28-15-19-32(36)30(21-28)23(2)24-8-16-29(37-7)17-9-24;1-22-19-28(15-17-31(22)36)33(3,4)26-11-13-27(14-12-26)34(5,6)29-16-18-32(37)30(20-29)23(2)25-9-7-24(21-35)8-10-25;1-21-19-26(11-13-29(21)34)31(3,4)24-7-9-25(10-8-24)32(5,6)27-12-14-30(35)28(20-27)22(2)23-15-17-33-18-16-23;1-20-17-25(11-13-28(20)32)30(3,4)23-7-9-24(10-8-23)31(5,6)26-12-14-29(33)27(18-26)21(2)22-15-16-34-19-22;8*1-2/h8-21,23,35-36H,1-7H3;7-21,23,36-37H,1-6H3;7-20,22,34-35H,1-6H3;7-19,21,32-33H,1-6H3;;;;;;;;
InChIKeySWOIJYVIWPRACZ-UHFFFAOYSA-N
XLogP38.84
TPSA201.03 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.62
LogP ≤ 538.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine?
The IUPAC name of 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine (CID 160957362) is 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine.
What is the SMILES notation for 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine?
The canonical SMILES for 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine is COc1ccc(C(C)c2cc(C(C)(C)c3ccc(C(C)(C)c4ccc(O)c(C)c4)cc3)ccc2O)cc1.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccc(C=O)cc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccncc4)c3)cc2)ccc1O.Cc1cc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)c(C(C)c4ccsc4)c3)cc2)ccc1O.FF.FF.FF.FF.FF.FF.FF.FF.
What is the InChIKey of 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine?
The InChIKey is SWOIJYVIWPRACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O3.C34H36O3.C32H35NO2.C31H34O2S.8F2/c1-22-20-27(14-18-31(22)35)33(3,4)25-10-12-26(13-11-25)34(5,6)28-15-19-32(36)30(21-28)23(2)24-8-16-29(37-7)17-9-24;1-22-19-28(15-17-31(22)36)33(3,4)26-11-13-27(14-12-26)34(5,6)29-16-18-32(37)30(20-29)23(2)25-9-7-24(21-35)8-10-25;1-21-19-26(11-13-29(21)34)31(3,4)24-7-9-25(10-8-24)32(5,6)27-12-14-30(35)28(20-27)22(2)23-15-17-33-18-16-23;1-20-17-25(11-13-28(20)32)30(3,4)23-7-9-24(10-8-23)31(5,6)26-12-14-29(33)27(18-26)21(2)22-15-16-34-19-22;8*1-2/h8-21,23,35-36H,1-7H3;7-21,23,36-37H,1-6H3;7-20,22,34-35H,1-6H3;7-19,21,32-33H,1-6H3;;;;;;;;.
What are the key properties of 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine?
4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine has a molecular weight of 2227.62 g/mol, XLogP of 38.84, 26 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]ethyl]benzaldehyde;4-[2-[4-[2-[4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-pyridin-4-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(1-thiophen-3-ylethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine is sourced from PubChem (CID 160957362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).