(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol

C13H13ClOS — CID 79427209

IUPAC(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(Cl)cs2)c1C
InChIInChI=1S/C13H13ClOS/c1-8-4-3-5-11(9(8)2)13(15)12-6-10(14)7-16-12/h3-7,13,15H,1-2H3
InChIKeyIAIVSKYVOLTZIG-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.10
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol

(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol (PubChem CID 79427209) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol
PubChem CID79427209
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(Cl)cs2)c1C
InChIInChI=1S/C13H13ClOS/c1-8-4-3-5-11(9(8)2)13(15)12-6-10(14)7-16-12/h3-7,13,15H,1-2H3
InChIKeyIAIVSKYVOLTZIG-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

(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(4-bromothiophen-3-yl)-(4-chlorothiophen-2-yl)methanol
CID 79595609
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
CID 81216435
(4-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679678
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 114685175
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2,3-dimethylphenyl)-(5-methylfuran-2-yl)methanol
CID 63894230
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol (CID 79427209) is (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)c2cc(Cl)cs2)c1C.
What is the InChIKey of (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol?
The InChIKey is IAIVSKYVOLTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-8-4-3-5-11(9(8)2)13(15)12-6-10(14)7-16-12/h3-7,13,15H,1-2H3.
What are the key properties of (4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol?
(4-chlorothiophen-2-yl)-(2,3-dimethylphenyl)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-chlorothiophen-2-yl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 79427209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).