(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol

C16H17ClOS — CID 115484546

IUPAC(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C16H17ClOS/c1-10-8-13(14(17)9-11(10)2)16(18)12-6-4-5-7-15(12)19-3/h4-9,16,18H,1-3H3
InChIKeyWBCVKUGLDODRIK-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.76
Rot. Bonds3

About (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol

(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol (PubChem CID 115484546) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
PubChem CID115484546
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C16H17ClOS/c1-10-8-13(14(17)9-11(10)2)16(18)12-6-4-5-7-15(12)19-3/h4-9,16,18H,1-3H3
InChIKeyWBCVKUGLDODRIK-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
1-[bromo-(2-methylsulfanylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050590
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2-fluoro-4,6-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 106884084
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol (CID 115484546) is (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol is CSc1ccccc1C(O)c1cc(C)c(C)cc1Cl.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
The InChIKey is WBCVKUGLDODRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-10-8-13(14(17)9-11(10)2)16(18)12-6-4-5-7-15(12)19-3/h4-9,16,18H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol has a molecular weight of 292.83 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol is sourced from PubChem (CID 115484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).