(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol

C14H13ClOS — CID 114980455

IUPAC(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClOS/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9,14,16H,1H3
InChIKeyDBWHDWOXXKOFDU-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.14
Rot. Bonds3

About (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol

(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 114980455) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
PubChem CID114980455
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClOS/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9,14,16H,1H3
InChIKeyDBWHDWOXXKOFDU-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
CID 60896350
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol (CID 114980455) is (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol is CSc1ccc(C(O)c2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is DBWHDWOXXKOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9,14,16H,1H3.
What are the key properties of (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol?
(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 264.78 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 114980455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).