(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol

C13H13ClOS — CID 121226317

IUPAC(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol
SMILESCc1sc(C(O)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C13H13ClOS/c1-8-11(14)9(2)16-13(8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3
InChIKeyGLYRWTSVZVXVOB-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.10
Rot. Bonds2

About (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol

(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol (PubChem CID 121226317) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol
PubChem CID121226317
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol
SMILESCc1sc(C(O)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C13H13ClOS/c1-8-11(14)9(2)16-13(8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3
InChIKeyGLYRWTSVZVXVOB-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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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol?
The IUPAC name of (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol (CID 121226317) is (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol.
What is the SMILES notation for (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol?
The canonical SMILES for (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol is Cc1sc(C(O)c2ccccc2)c(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol?
The InChIKey is GLYRWTSVZVXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-8-11(14)9(2)16-13(8)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol?
(4-chloro-3,5-dimethylthiophen-2-yl)-phenylmethanol 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-3,5-dimethylthiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 121226317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).