(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

C15H12F2O2 — CID 61100595

IUPAC(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12F2O2/c16-12-3-1-11(8-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeyWMTAAODHIWXFSK-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.98
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61100595) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61100595
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12F2O2/c16-12-3-1-11(8-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeyWMTAAODHIWXFSK-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61100595) is (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is WMTAAODHIWXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c16-12-3-1-11(8-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2.
What are the key properties of (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 262.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61100595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).