(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol

C12H10BrClOS — CID 115820165

IUPAC(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cscc2Br)c1Cl
InChIInChI=1S/C12H10BrClOS/c1-7-3-2-4-8(11(7)14)12(15)9-5-16-6-10(9)13/h2-6,12,15H,1H3
InChIKeyWIXNUAQMUNOGJA-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.55
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol

(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol (PubChem CID 115820165) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
PubChem CID115820165
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cscc2Br)c1Cl
InChIInChI=1S/C12H10BrClOS/c1-7-3-2-4-8(11(7)14)12(15)9-5-16-6-10(9)13/h2-6,12,15H,1H3
InChIKeyWIXNUAQMUNOGJA-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
CID 79596576
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
(3-bromo-2-chlorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516210
1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
CID 115817197
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol (CID 115820165) is (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol is Cc1cccc(C(O)c2cscc2Br)c1Cl.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol?
The InChIKey is WIXNUAQMUNOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-7-3-2-4-8(11(7)14)12(15)9-5-16-6-10(9)13/h2-6,12,15H,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol?
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol has a molecular weight of 317.64 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol is sourced from PubChem (CID 115820165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).