(2S)-1,1-diphenylpropane-1,2-diol

C15H16O2 — CID 736300

IUPAC(2S)-1,1-diphenylpropane-1,2-diol
SMILESC[C@H](O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3/t12-/m0/s1
InChIKeyRQKXFLUAQLDHMO-LBPRGKRZSA-N
MW228.29 g/mol
LogP2.30
Rot. Bonds3

About (2S)-1,1-diphenylpropane-1,2-diol

(2S)-1,1-diphenylpropane-1,2-diol (PubChem CID 736300) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-1,1-diphenylpropane-1,2-diol.

Molecular Properties

Compound Name(2S)-1,1-diphenylpropane-1,2-diol
PubChem CID736300
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2S)-1,1-diphenylpropane-1,2-diol
SMILESC[C@H](O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3/t12-/m0/s1
InChIKeyRQKXFLUAQLDHMO-LBPRGKRZSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Dicumyl peroxide
CID 6641
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2-Methylbenzyl alcohol
CID 6994

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-diphenylpropane-1,2-diol?
The IUPAC name of (2S)-1,1-diphenylpropane-1,2-diol (CID 736300) is (2S)-1,1-diphenylpropane-1,2-diol.
What is the SMILES notation for (2S)-1,1-diphenylpropane-1,2-diol?
The canonical SMILES for (2S)-1,1-diphenylpropane-1,2-diol is C[C@H](O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1,1-diphenylpropane-1,2-diol?
The InChIKey is RQKXFLUAQLDHMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3/t12-/m0/s1.
What are the key properties of (2S)-1,1-diphenylpropane-1,2-diol?
(2S)-1,1-diphenylpropane-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-diphenylpropane-1,2-diol is sourced from PubChem (CID 736300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).