(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol

C12H11ClO2S — CID 114982389

IUPAC(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C12H11ClO2S/c1-15-10-6-11(16-7-10)12(14)8-3-2-4-9(13)5-8/h2-7,12,14H,1H3
InChIKeyGOVHDENGWVKHHK-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.49
Rot. Bonds3

About (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol

(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 114982389) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID114982389
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C12H11ClO2S/c1-15-10-6-11(16-7-10)12(14)8-3-2-4-9(13)5-8/h2-7,12,14H,1H3
InChIKeyGOVHDENGWVKHHK-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanol
CID 115805532
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol (CID 114982389) is (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is GOVHDENGWVKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c1-15-10-6-11(16-7-10)12(14)8-3-2-4-9(13)5-8/h2-7,12,14H,1H3.
What are the key properties of (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol?
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 254.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 114982389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).