(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol

C12H10F2O2 — CID 61087172

IUPAC(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2O2/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3
InChIKeyYJLZUCTXFJKJIF-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.95
Rot. Bonds2

About (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol

(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol (PubChem CID 61087172) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
PubChem CID61087172
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2O2/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3
InChIKeyYJLZUCTXFJKJIF-UHFFFAOYSA-N
XLogP2.95
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
(3-methylfuran-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61089048
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
(2,4-difluorophenyl)methanediol
CID 91089962
(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61082570
2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432210

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol (CID 61087172) is (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol?
The InChIKey is YJLZUCTXFJKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol?
(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol has a molecular weight of 224.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 61087172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).