(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

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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).