[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol

C12H11ClOS — CID 172650532

IUPAC[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2cc(CO)ccc2Cl)s1
InChIInChI=1S/C12H11ClOS/c1-8-2-5-12(15-8)10-6-9(7-14)3-4-11(10)13/h2-6,14H,7H2,1H3
InChIKeyOABDSRXBPMDUNX-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.87
Rot. Bonds2

About [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol

[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol (PubChem CID 172650532) has the molecular formula C12H11ClOS and a molecular weight of 238.74 g/mol. Its IUPAC name is [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol
PubChem CID172650532
Molecular FormulaC12H11ClOS
Molecular Weight238.74 g/mol
Exact Mass238.02
IUPAC Name[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2cc(CO)ccc2Cl)s1
InChIInChI=1S/C12H11ClOS/c1-8-2-5-12(15-8)10-6-9(7-14)3-4-11(10)13/h2-6,14H,7H2,1H3
InChIKeyOABDSRXBPMDUNX-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.87
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-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol (CID 172650532) is [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol is Cc1ccc(-c2cc(CO)ccc2Cl)s1.
What is the InChIKey of [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is OABDSRXBPMDUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS/c1-8-2-5-12(15-8)10-6-9(7-14)3-4-11(10)13/h2-6,14H,7H2,1H3.
What are the key properties of [4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol?
[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol has a molecular weight of 238.74 g/mol, XLogP of 3.87, 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-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 172650532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).