(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol

C13H13ClOS — CID 115807784

IUPAC(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C13H13ClOS/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7,13,15H,1-2H3
InChIKeyQBDDHXBGMHDEGG-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.10
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol

(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 115807784) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID115807784
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C13H13ClOS/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7,13,15H,1-2H3
InChIKeyQBDDHXBGMHDEGG-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

(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099738
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781666
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol (CID 115807784) is (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccc(Cl)c(C)c2)cs1.
What is the InChIKey of (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is QBDDHXBGMHDEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-8-5-10(3-4-12(8)14)13(15)11-6-9(2)16-7-11/h3-7,13,15H,1-2H3.
What are the key properties of (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
(4-chloro-3-methylphenyl)-(5-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 (4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 115807784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).