[4-(phenylsulfanylmethyl)phenyl]methanol

C14H14OS — CID 59255239

IUPAC[4-(phenylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyLLGRMYZIEHVXDA-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.47
Rot. Bonds4

About [4-(phenylsulfanylmethyl)phenyl]methanol

[4-(phenylsulfanylmethyl)phenyl]methanol (PubChem CID 59255239) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is [4-(phenylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(phenylsulfanylmethyl)phenyl]methanol
PubChem CID59255239
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name[4-(phenylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyLLGRMYZIEHVXDA-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol
CID 71676990
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
2-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]benzoic acid
CID 91016277
[4-[(2-aminophenyl)sulfanylmethyl]phenyl]methanol
CID 113365843
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
CID 113374088
1-phenyl-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 1316504
dimethyl-[4-(phenylsulfanylmethyl)phenyl]borane;methane
CID 158714978
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747

Frequently Asked Questions

What is the IUPAC name of [4-(phenylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(phenylsulfanylmethyl)phenyl]methanol (CID 59255239) is [4-(phenylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(phenylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(phenylsulfanylmethyl)phenyl]methanol is OCc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of [4-(phenylsulfanylmethyl)phenyl]methanol?
The InChIKey is LLGRMYZIEHVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,15H,10-11H2.
What are the key properties of [4-(phenylsulfanylmethyl)phenyl]methanol?
[4-(phenylsulfanylmethyl)phenyl]methanol has a molecular weight of 230.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 59255239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).