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

C12H10BrFO2 — CID 63944186

IUPAC(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2occc2Br)ccc1F
InChIInChI=1S/C12H10BrFO2/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11,15H,1H3
InChIKeyZXFNUPZAZCECBL-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.57
Rot. Bonds2

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

(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 63944186) has the molecular formula C12H10BrFO2 and a molecular weight of 285.11 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID63944186
Molecular FormulaC12H10BrFO2
Molecular Weight285.11 g/mol
Exact Mass283.98
IUPAC Name(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2occc2Br)ccc1F
InChIInChI=1S/C12H10BrFO2/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11,15H,1H3
InChIKeyZXFNUPZAZCECBL-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

(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
CID 63942028
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
CID 66423642
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol (CID 63944186) is (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2occc2Br)ccc1F.
What is the InChIKey of (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is ZXFNUPZAZCECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11,15H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
(3-bromofuran-2-yl)-(4-fluoro-3-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 (3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 63944186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).