(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol

C13H13ClOS — CID 107103539

IUPAC(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H13ClOS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13,15H,1-2H3
InChIKeyNXWKSUVHDDJUCY-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.10
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol

(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol (PubChem CID 107103539) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
PubChem CID107103539
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H13ClOS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13,15H,1-2H3
InChIKeyNXWKSUVHDDJUCY-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
(3-chloro-2-pyridinyl)-(2-methylthiophen-3-yl)methanol
CID 103443385
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
1-(3-chloro-2-methylphenyl)prop-2-yn-1-ol
CID 107103388
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol (CID 107103539) is (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is NXWKSUVHDDJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-8-10(4-3-5-12(8)14)13(15)11-6-7-16-9(11)2/h3-7,13,15H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol?
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 252.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 107103539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).