1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol

C16H13ClOS — CID 63194986

IUPAC1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc3ccccc23)cc1Cl
InChIInChI=1S/C16H13ClOS/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3
InChIKeyVLCQHYDAHPQFCJ-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.94
Rot. Bonds2

About 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol

1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol (PubChem CID 63194986) has the molecular formula C16H13ClOS and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
PubChem CID63194986
Molecular FormulaC16H13ClOS
Molecular Weight288.80 g/mol
Exact Mass288.04
IUPAC Name1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc3ccccc23)cc1Cl
InChIInChI=1S/C16H13ClOS/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3
InChIKeyVLCQHYDAHPQFCJ-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
1-benzothiophen-3-yl(1H-indol-5-yl)methanol
CID 81437486
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol (CID 63194986) is 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2csc3ccccc23)cc1Cl.
What is the InChIKey of 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol?
The InChIKey is VLCQHYDAHPQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClOS/c1-10-6-7-11(8-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-9,16,18H,1H3.
What are the key properties of 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol?
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol has a molecular weight of 288.80 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 63194986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).