2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol

C16H15ClO2 — CID 114744440

IUPAC2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H15ClO2/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15,18H,7-8,10H2
InChIKeyHGYKJBSLLXCJBG-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.55
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol

2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 114744440) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID114744440
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H15ClO2/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15,18H,7-8,10H2
InChIKeyHGYKJBSLLXCJBG-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanol
CID 104543207
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
CID 114745088
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
CID 103089875

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 114744440) is 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol is OC(Cc1cccc(Cl)c1)c1cccc2c1OCC2.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is HGYKJBSLLXCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-13-5-1-3-11(9-13)10-15(18)14-6-2-4-12-7-8-19-16(12)14/h1-6,9,15,18H,7-8,10H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol?
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 274.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 114744440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).