(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol

C12H11BrOS — CID 115805475

IUPAC(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
SMILESCc1ccc(Br)cc1C(O)c1ccsc1
InChIInChI=1S/C12H11BrOS/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,12,14H,1H3
InChIKeyDTIHHUNRCOUUFO-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.90
Rot. Bonds2

About (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol

(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol (PubChem CID 115805475) has the molecular formula C12H11BrOS and a molecular weight of 283.19 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
PubChem CID115805475
Molecular FormulaC12H11BrOS
Molecular Weight283.19 g/mol
Exact Mass281.97
IUPAC Name(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
SMILESCc1ccc(Br)cc1C(O)c1ccsc1
InChIInChI=1S/C12H11BrOS/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,12,14H,1H3
InChIKeyDTIHHUNRCOUUFO-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821609
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol (CID 115805475) is (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol is Cc1ccc(Br)cc1C(O)c1ccsc1.
What is the InChIKey of (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol?
The InChIKey is DTIHHUNRCOUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS/c1-8-2-3-10(13)6-11(8)12(14)9-4-5-15-7-9/h2-7,12,14H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol?
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol has a molecular weight of 283.19 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 115805475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).