(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate

C18H16ClO3- — CID 19421656

IUPAC(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate
SMILESCCCOc1cccc(/C(=C/C(=O)[O-])c2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClO3/c1-2-9-22-16-8-4-6-14(11-16)17(12-18(20)21)13-5-3-7-15(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21)/p-1/b17-12+
InChIKeyVQODCAXASCVMPS-SFQUDFHCSA-M
MW315.78 g/mol
LogP3.31
Rot. Bonds6

About (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate

(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate (PubChem CID 19421656) has the molecular formula C18H16ClO3- and a molecular weight of 315.78 g/mol. Its IUPAC name is (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate
PubChem CID19421656
Molecular FormulaC18H16ClO3-
Molecular Weight315.78 g/mol
Exact Mass315.08
IUPAC Name(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate
SMILESCCCOc1cccc(/C(=C/C(=O)[O-])c2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClO3/c1-2-9-22-16-8-4-6-14(11-16)17(12-18(20)21)13-5-3-7-15(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21)/p-1/b17-12+
InChIKeyVQODCAXASCVMPS-SFQUDFHCSA-M
XLogP3.31
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate 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

ethyl 3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate
CID 54364590
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate
CID 19421596
3-propoxybenzamide
CID 22311435
propan-2-yl 3-propoxybenzoate
CID 60979538
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663
N,N-dimethyl-3-propoxybenzamide
CID 28639811
acetyl 3-propoxybenzoate
CID 54339605
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate?
The IUPAC name of (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate (CID 19421656) is (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate.
What is the SMILES notation for (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate?
The canonical SMILES for (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate is CCCOc1cccc(/C(=C/C(=O)[O-])c2cccc(Cl)c2)c1.
What is the InChIKey of (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate?
The InChIKey is VQODCAXASCVMPS-SFQUDFHCSA-M. The full InChI is InChI=1S/C18H17ClO3/c1-2-9-22-16-8-4-6-14(11-16)17(12-18(20)21)13-5-3-7-15(19)10-13/h3-8,10-12H,2,9H2,1H3,(H,20,21)/p-1/b17-12+.
What are the key properties of (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate?
(Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate has a molecular weight of 315.78 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chlorophenyl)-3-(3-propoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).