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

C12H9Br2FOS — CID 80535288

IUPAC(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2FOS/c1-6-2-3-7(15)4-8(6)11(16)10-5-9(13)12(14)17-10/h2-5,11,16H,1H3
InChIKeyNOJNIBKNVIVEPE-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.80
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 80535288) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID80535288
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2FOS/c1-6-2-3-7(15)4-8(6)11(16)10-5-9(13)12(14)17-10/h2-5,11,16H,1H3
InChIKeyNOJNIBKNVIVEPE-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

(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430671
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol (CID 80535288) is (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is NOJNIBKNVIVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c1-6-2-3-7(15)4-8(6)11(16)10-5-9(13)12(14)17-10/h2-5,11,16H,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(5-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 (4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 80535288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).