(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol

C12H11ClO2S — CID 61089121

IUPAC(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClO2S/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12,14H,1H3
InChIKeyMTSLDNMVUPFCHK-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.49
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol

(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol (PubChem CID 61089121) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
PubChem CID61089121
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClO2S/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12,14H,1H3
InChIKeyMTSLDNMVUPFCHK-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

(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042
(5-chlorothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
CID 114938025
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 105119649
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 61086226
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol (CID 61089121) is (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Cl)s2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol?
The InChIKey is MTSLDNMVUPFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12,14H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol?
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)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 (5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 61089121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).