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

C15H11ClF2O2 — CID 107477204

IUPAC(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11ClF2O2/c16-12-5-14(18)13(17)4-11(12)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5,15,19H,6-7H2
InChIKeyZVSFTCQJJRIJSG-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.73
Rot. Bonds2

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

(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 107477204) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID107477204
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11ClF2O2/c16-12-5-14(18)13(17)4-11(12)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5,15,19H,6-7H2
InChIKeyZVSFTCQJJRIJSG-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 107991858
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
CID 63020951
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 107477204) is (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)COC2)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is ZVSFTCQJJRIJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-12-5-14(18)13(17)4-11(12)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5,15,19H,6-7H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 296.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 107477204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).