(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol

C14H14O3 — CID 174399635

IUPAC(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
SMILESOC[C@](O)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H14O3/c15-10-14(17,11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-9,15-17H,10H2/t14-/m0/s1
InChIKeyVQVNCUYCYARNNM-AWEZNQCLSA-N
MW230.26 g/mol
LogP1.62
Rot. Bonds3

About (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol

(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol (PubChem CID 174399635) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
PubChem CID174399635
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
SMILESOC[C@](O)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H14O3/c15-10-14(17,11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-9,15-17H,10H2/t14-/m0/s1
InChIKeyVQVNCUYCYARNNM-AWEZNQCLSA-N
XLogP1.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol
CID 174729195
[4-(1,2-dihydroxy-1-phenylethyl)phenyl] acetate
CID 67748642
4-[difluoro(phenyl)methyl]phenol
CID 83855777
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
CID 150256890
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
2-iodo-1,1-diphenylethanol
CID 11738821
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
ethane;phenol;2-phenylpropan-2-ol;4-(2-phenylpropan-2-yl)phenol
CID 158640691

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol?
The IUPAC name of (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol (CID 174399635) is (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol.
What is the SMILES notation for (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol?
The canonical SMILES for (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol is OC[C@](O)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol?
The InChIKey is VQVNCUYCYARNNM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14O3/c15-10-14(17,11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-9,15-17H,10H2/t14-/m0/s1.
What are the key properties of (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol?
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol is sourced from PubChem (CID 174399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).