1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol

C17H17ClO3 — CID 104543138

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C17H17ClO3/c1-20-14-4-2-11(3-5-14)8-16(19)15-10-13(18)9-12-6-7-21-17(12)15/h2-5,9-10,16,19H,6-8H2,1H3
InChIKeyDXFVLVRUOSPLJT-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol (PubChem CID 104543138) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
PubChem CID104543138
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C17H17ClO3/c1-20-14-4-2-11(3-5-14)8-16(19)15-10-13(18)9-12-6-7-21-17(12)15/h2-5,9-10,16,19H,6-8H2,1H3
InChIKeyDXFVLVRUOSPLJT-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanol
CID 104543207
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
CID 113425155
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 104545220
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanol
CID 104543084
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544047
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-methoxyphenyl)ethanone
CID 104544556

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol (CID 104543138) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cc(Cl)cc3c2OCC3)cc1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is DXFVLVRUOSPLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-14-4-2-11(3-5-14)8-16(19)15-10-13(18)9-12-6-7-21-17(12)15/h2-5,9-10,16,19H,6-8H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol has a molecular weight of 304.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 104543138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).