4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol

C51H56O5 — CID 145273415

IUPAC4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C27H30O3.C24H26O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h6-16,28-29H,17H2,1-5H3;5-16,25-26H,1-4H3
InChIKeySSQCGZSODMBFEN-UHFFFAOYSA-N
MW749.00 g/mol
LogP12.04
Rot. Bonds7

About 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol

4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol (PubChem CID 145273415) has the molecular formula C51H56O5 and a molecular weight of 749.00 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol
PubChem CID145273415
Molecular FormulaC51H56O5
Molecular Weight749.00 g/mol
Exact Mass748.41
IUPAC Name4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C27H30O3.C24H26O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h6-16,28-29H,17H2,1-5H3;5-16,25-26H,1-4H3
InChIKeySSQCGZSODMBFEN-UHFFFAOYSA-N
XLogP12.04
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.00
LogP ≤ 512.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol with MolForge

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Related Compounds

4-[(4R)-2,2,4,6-tetramethyl-3H-chromen-4-yl]phenol
CID 139203808
4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
CID 161100270
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
CID 23369068
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
CID 170852882
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
CID 1202572

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol (CID 145273415) is 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol.
What is the SMILES notation for 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The canonical SMILES for 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1.
What is the InChIKey of 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
The InChIKey is SSQCGZSODMBFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3.C24H26O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h6-16,28-29H,17H2,1-5H3;5-16,25-26H,1-4H3.
What are the key properties of 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol?
4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol has a molecular weight of 749.00 g/mol, XLogP of 12.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol is sourced from PubChem (CID 145273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).