(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol

C12H10BrFO2 — CID 106859200

IUPAC(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1ccoc1Br
InChIInChI=1S/C12H10BrFO2/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11,15H,1H3
InChIKeyCDYURGBLZZYYAJ-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.57
Rot. Bonds2

About (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol

(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 106859200) has the molecular formula C12H10BrFO2 and a molecular weight of 285.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID106859200
Molecular FormulaC12H10BrFO2
Molecular Weight285.11 g/mol
Exact Mass283.98
IUPAC Name(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1ccoc1Br
InChIInChI=1S/C12H10BrFO2/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11,15H,1H3
InChIKeyCDYURGBLZZYYAJ-UHFFFAOYSA-N
XLogP3.57
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 113400075
(4-bromo-2,6-difluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794091
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol (CID 106859200) is (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is CDYURGBLZZYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11,15H,1H3.
What are the key properties of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol?
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 285.11 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 106859200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).