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

C15H12ClFO2 — CID 61100761

IUPAC(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeySTOKSHZTPFPEQP-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.50
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61100761) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61100761
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2
InChIKeySTOKSHZTPFPEQP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185260
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294047

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61100761) is (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is STOKSHZTPFPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15,18H,5-6H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 278.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61100761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).