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

C15H12ClFO2 — CID 81461442

IUPAC(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFO2/c16-14-12(2-1-3-13(14)17)15(18)9-4-5-10-7-19-8-11(10)6-9/h1-6,15,18H,7-8H2
InChIKeyVMGMOHALWDJNSJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.59
Rot. Bonds2

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

(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 81461442) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID81461442
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFO2/c16-14-12(2-1-3-13(14)17)15(18)9-4-5-10-7-19-8-11(10)6-9/h1-6,15,18H,7-8H2
InChIKeyVMGMOHALWDJNSJ-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
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
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(7-bromo-1-benzothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81128772
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 81461442) is (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)COC2)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is VMGMOHALWDJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-14-12(2-1-3-13(14)17)15(18)9-4-5-10-7-19-8-11(10)6-9/h1-6,15,18H,7-8H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 278.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 81461442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).