1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol

C16H13ClO2S — CID 104817073

IUPAC1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1cccc2ccsc12
InChIInChI=1S/C16H13ClO2S/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-9,15,18H,1H3
InChIKeyHKRGVIDBHIPMTD-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.64
Rot. Bonds3

About 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol

1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol (PubChem CID 104817073) has the molecular formula C16H13ClO2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
PubChem CID104817073
Molecular FormulaC16H13ClO2S
Molecular Weight304.80 g/mol
Exact Mass304.03
IUPAC Name1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1cccc2ccsc12
InChIInChI=1S/C16H13ClO2S/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-9,15,18H,1H3
InChIKeyHKRGVIDBHIPMTD-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
(2-chloro-6-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 104817555
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
1-(1-benzothiophen-7-yl)-2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]ethanol
CID 70076398
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol (CID 104817073) is 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol is COc1cccc(Cl)c1C(O)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol?
The InChIKey is HKRGVIDBHIPMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2S/c1-19-13-7-3-6-12(17)14(13)15(18)11-5-2-4-10-8-9-20-16(10)11/h2-9,15,18H,1H3.
What are the key properties of 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol?
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol has a molecular weight of 304.80 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol is sourced from PubChem (CID 104817073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).