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

C16H14ClFO2 — CID 103047606

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14ClFO2/c17-13-2-3-14(18)12(8-13)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8,15,19H,5-6,9H2
InChIKeyWLTSEGQEFOTPSQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.69
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 103047606) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID103047606
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14ClFO2/c17-13-2-3-14(18)12(8-13)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8,15,19H,5-6,9H2
InChIKeyWLTSEGQEFOTPSQ-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
N'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115762404
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 103047606) is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is OC(Cc1cc(Cl)ccc1F)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is WLTSEGQEFOTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-13-2-3-14(18)12(8-13)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8,15,19H,5-6,9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 292.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 103047606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).