(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol

C12H9Br2FOS — CID 113400075

IUPAC(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2FOS/c1-6-4-7(15)2-3-8(6)11(16)9-5-10(13)17-12(9)14/h2-5,11,16H,1H3
InChIKeyYQHLRCBACOXDGZ-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.80
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol

(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 113400075) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID113400075
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2FOS/c1-6-4-7(15)2-3-8(6)11(16)9-5-10(13)17-12(9)14/h2-5,11,16H,1H3
InChIKeyYQHLRCBACOXDGZ-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
(4-bromo-2,6-difluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794091
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 107969859
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol (CID 113400075) is (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is YQHLRCBACOXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c1-6-4-7(15)2-3-8(6)11(16)9-5-10(13)17-12(9)14/h2-5,11,16H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 380.08 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 113400075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).