4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol

C22H22O4 — CID 148624856

IUPAC4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol
SMILESCC(c1cccc(C(C)c2ccc(O)cc2O)c1)c1ccc(O)cc1O
InChIInChI=1S/C22H22O4/c1-13(19-8-6-17(23)11-21(19)25)15-4-3-5-16(10-15)14(2)20-9-7-18(24)12-22(20)26/h3-14,23-26H,1-2H3
InChIKeyNGZKLGIHCPSTSP-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.81
Rot. Bonds4

About 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol

4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol (PubChem CID 148624856) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol
PubChem CID148624856
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol
SMILESCC(c1cccc(C(C)c2ccc(O)cc2O)c1)c1ccc(O)cc1O
InChIInChI=1S/C22H22O4/c1-13(19-8-6-17(23)11-21(19)25)15-4-3-5-16(10-15)14(2)20-9-7-18(24)12-22(20)26/h3-14,23-26H,1-2H3
InChIKeyNGZKLGIHCPSTSP-UHFFFAOYSA-N
XLogP4.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-[chloro(phenyl)methyl]benzene-1,3-diol
CID 66729340
anthracene;bis(4-[1-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol);4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol;ethane;naphthalene
CID 162085625
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
4-[2-(2,4-dihydroxyphenyl)-1,2-bis(sulfanyl)ethyl]benzene-1,3-diol
CID 23187827
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
4-[(1S)-1-amino-3-methylbutyl]benzene-1,3-diol
CID 131014556
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol (CID 148624856) is 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol is CC(c1cccc(C(C)c2ccc(O)cc2O)c1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol?
The InChIKey is NGZKLGIHCPSTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-13(19-8-6-17(23)11-21(19)25)15-4-3-5-16(10-15)14(2)20-9-7-18(24)12-22(20)26/h3-14,23-26H,1-2H3.
What are the key properties of 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol?
4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol has a molecular weight of 350.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol is sourced from PubChem (CID 148624856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).