(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol

C12H10BrClOS — CID 115820132

IUPAC(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cscc2Br)c1
InChIInChI=1S/C12H10BrClOS/c1-7-2-8(4-9(14)3-7)12(15)10-5-16-6-11(10)13/h2-6,12,15H,1H3
InChIKeyLPZYWGITMPRDGF-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.55
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol

(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 115820132) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
PubChem CID115820132
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cscc2Br)c1
InChIInChI=1S/C12H10BrClOS/c1-7-2-8(4-9(14)3-7)12(15)10-5-16-6-11(10)13/h2-6,12,15H,1H3
InChIKeyLPZYWGITMPRDGF-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

(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
N-[(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 105010546
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(4-bromothiophen-3-yl)-(4-chlorothiophen-2-yl)methanol
CID 79595609
1-(4-bromothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105010884
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324876
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol (CID 115820132) is (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol is Cc1cc(Cl)cc(C(O)c2cscc2Br)c1.
What is the InChIKey of (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is LPZYWGITMPRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-7-2-8(4-9(14)3-7)12(15)10-5-16-6-11(10)13/h2-6,12,15H,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
(4-bromothiophen-3-yl)-(3-chloro-5-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)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 115820132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).