(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate

C23H21ClO3 — CID 12604000

IUPAC(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
SMILESO=C(OCc1coc(Cc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H21ClO3/c24-20-10-8-19(9-11-20)22(18-6-7-18)23(25)27-15-17-13-21(26-14-17)12-16-4-2-1-3-5-16/h1-5,8-11,13-14,18,22H,6-7,12,15H2
InChIKeyJMPMHYAYPPCBJE-UHFFFAOYSA-N
MW380.87 g/mol
LogP5.76
Rot. Bonds7

About (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate

(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate (PubChem CID 12604000) has the molecular formula C23H21ClO3 and a molecular weight of 380.87 g/mol. Its IUPAC name is (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate.

Molecular Properties

Compound Name(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
PubChem CID12604000
Molecular FormulaC23H21ClO3
Molecular Weight380.87 g/mol
Exact Mass380.12
IUPAC Name(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
SMILESO=C(OCc1coc(Cc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C23H21ClO3/c24-20-10-8-19(9-11-20)22(18-6-7-18)23(25)27-15-17-13-21(26-14-17)12-16-4-2-1-3-5-16/h1-5,8-11,13-14,18,22H,6-7,12,15H2
InChIKeyJMPMHYAYPPCBJE-UHFFFAOYSA-N
XLogP5.76
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate 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

(4-chlorophenyl) 3-(5-benzylfuran-3-yl)-2-cyclopropylpropanoate
CID 54494063
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 54515227
2-benzyl-4-[(5-benzylfuran-3-yl)methoxymethyl]furan
CID 57262426
(5-benzylfuran-3-yl)methyl 3-[(E)-2-cyclopentylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23447064
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
trans-(5-benzylfuran-3-yl)methyl (1R,3R)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54142900
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-[(Z)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate
CID 6089304
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;cis-(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 70012599

Frequently Asked Questions

What is the IUPAC name of (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The IUPAC name of (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate (CID 12604000) is (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate.
What is the SMILES notation for (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The canonical SMILES for (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate is O=C(OCc1coc(Cc2ccccc2)c1)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
The InChIKey is JMPMHYAYPPCBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO3/c24-20-10-8-19(9-11-20)22(18-6-7-18)23(25)27-15-17-13-21(26-14-17)12-16-4-2-1-3-5-16/h1-5,8-11,13-14,18,22H,6-7,12,15H2.
What are the key properties of (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate?
(5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate has a molecular weight of 380.87 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylfuran-3-yl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate is sourced from PubChem (CID 12604000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).