[3-(4-bromothiophen-3-yl)phenyl]methanol

C11H9BrOS — CID 164647442

IUPAC[3-(4-bromothiophen-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2cscc2Br)c1
InChIInChI=1S/C11H9BrOS/c12-11-7-14-6-10(11)9-3-1-2-8(4-9)5-13/h1-4,6-7,13H,5H2
InChIKeyVCSVZPRDSDYRNW-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.67
Rot. Bonds2

About [3-(4-bromothiophen-3-yl)phenyl]methanol

[3-(4-bromothiophen-3-yl)phenyl]methanol (PubChem CID 164647442) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is [3-(4-bromothiophen-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-bromothiophen-3-yl)phenyl]methanol
PubChem CID164647442
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name[3-(4-bromothiophen-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2cscc2Br)c1
InChIInChI=1S/C11H9BrOS/c12-11-7-14-6-10(11)9-3-1-2-8(4-9)5-13/h1-4,6-7,13H,5H2
InChIKeyVCSVZPRDSDYRNW-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644
3-bromo-4-(4-bromophenyl)thiophene
CID 173139082
3-bromo-4-(4-methylphenyl)thiophene
CID 19789709
[3-(2,4-dichlorophenyl)phenyl]methanol
CID 11139638
(3-thiophen-2-ylphenyl)methanol
CID 7537586
[3-(2-bromoethyl)phenyl]methanol
CID 86049063
(2S)-N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide
CID 87715440
2-[3-(hydroxymethyl)phenyl]pyridin-3-ol
CID 53217569
[3-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647445
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
[3-(3,4,5-trifluorophenyl)phenyl]methanol
CID 172650671
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
CID 71173377

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromothiophen-3-yl)phenyl]methanol?
The IUPAC name of [3-(4-bromothiophen-3-yl)phenyl]methanol (CID 164647442) is [3-(4-bromothiophen-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-bromothiophen-3-yl)phenyl]methanol?
The canonical SMILES for [3-(4-bromothiophen-3-yl)phenyl]methanol is OCc1cccc(-c2cscc2Br)c1.
What is the InChIKey of [3-(4-bromothiophen-3-yl)phenyl]methanol?
The InChIKey is VCSVZPRDSDYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-11-7-14-6-10(11)9-3-1-2-8(4-9)5-13/h1-4,6-7,13H,5H2.
What are the key properties of [3-(4-bromothiophen-3-yl)phenyl]methanol?
[3-(4-bromothiophen-3-yl)phenyl]methanol has a molecular weight of 269.16 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromothiophen-3-yl)phenyl]methanol is sourced from PubChem (CID 164647442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).