2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol

C17H17ClO2 — CID 79449029

IUPAC2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
SMILESOCC(CC1COc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H17ClO2/c18-16-7-3-1-5-14(16)12(10-19)9-13-11-20-17-8-4-2-6-15(13)17/h1-8,12-13,19H,9-11H2
InChIKeyRPXWYJFWNYYVPU-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol

2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol (PubChem CID 79449029) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
PubChem CID79449029
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
SMILESOCC(CC1COc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H17ClO2/c18-16-7-3-1-5-14(16)12(10-19)9-13-11-20-17-8-4-2-6-15(13)17/h1-8,12-13,19H,9-11H2
InChIKeyRPXWYJFWNYYVPU-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 79434083
3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79433208
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 79435040
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
CID 112570500
2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 114320330
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol (CID 79449029) is 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol is OCC(CC1COc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol?
The InChIKey is RPXWYJFWNYYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-16-7-3-1-5-14(16)12(10-19)9-13-11-20-17-8-4-2-6-15(13)17/h1-8,12-13,19H,9-11H2.
What are the key properties of 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol?
2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol has a molecular weight of 288.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol is sourced from PubChem (CID 79449029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).