1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol

C15H16O2S — CID 170820677

IUPAC1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c16-14(10-18)15(17)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18H,10H2
InChIKeyMSEWCDYOEKVJTQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol

1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol (PubChem CID 170820677) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
PubChem CID170820677
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
SMILESOC(CS)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c16-14(10-18)15(17)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18H,10H2
InChIKeyMSEWCDYOEKVJTQ-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
1-[4-(2-methoxyphenyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170821073
1-(4-bromophenyl)-3-sulfanylpropane-1,2-diol
CID 170820927
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
CID 175226150
1-(4-tert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820129
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
CID 103456996
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
CID 79136873

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol?
The IUPAC name of 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol (CID 170820677) is 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol.
What is the SMILES notation for 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol?
The canonical SMILES for 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol is OC(CS)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol?
The InChIKey is MSEWCDYOEKVJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-14(10-18)15(17)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18H,10H2.
What are the key properties of 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol?
1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol has a molecular weight of 260.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 170820677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).