2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol

C24H26O4 — CID 174729195

IUPAC2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol
SMILESCCCC(O)(c1ccccc1)C(CO)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O4/c1-2-16-24(28,20-6-4-3-5-7-20)23(17-25,18-8-12-21(26)13-9-18)19-10-14-22(27)15-11-19/h3-15,25-28H,2,16-17H2,1H3
InChIKeyRYZDATFPMHCFTM-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.06
Rot. Bonds7

About 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol

2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol (PubChem CID 174729195) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol
PubChem CID174729195
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol
SMILESCCCC(O)(c1ccccc1)C(CO)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O4/c1-2-16-24(28,20-6-4-3-5-7-20)23(17-25,18-8-12-21(26)13-9-18)19-10-14-22(27)15-11-19/h3-15,25-28H,2,16-17H2,1H3
InChIKeyRYZDATFPMHCFTM-UHFFFAOYSA-N
XLogP4.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2-amino-2-phenylpentan-1-ol
CID 61056433
4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
CID 23363495
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
CID 150256890
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol?
The IUPAC name of 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol (CID 174729195) is 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol.
What is the SMILES notation for 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol?
The canonical SMILES for 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol is CCCC(O)(c1ccccc1)C(CO)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol?
The InChIKey is RYZDATFPMHCFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-2-16-24(28,20-6-4-3-5-7-20)23(17-25,18-8-12-21(26)13-9-18)19-10-14-22(27)15-11-19/h3-15,25-28H,2,16-17H2,1H3.
What are the key properties of 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol?
2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol has a molecular weight of 378.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol is sourced from PubChem (CID 174729195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).