(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid

C18H17ClO3 — CID 66759556

IUPAC(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
SMILESCOc1ccc(/C(=C\C(=O)O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO3/c1-22-17-10-6-14(7-11-17)15(12-18(20)21)5-2-13-3-8-16(19)9-4-13/h3-4,6-12H,2,5H2,1H3,(H,20,21)/b15-12-
InChIKeyODOLWMBSHKZSDY-QINSGFPZSA-N
MW316.78 g/mol
LogP4.45
Rot. Bonds6

About (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid

(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid (PubChem CID 66759556) has the molecular formula C18H17ClO3 and a molecular weight of 316.78 g/mol. Its IUPAC name is (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
PubChem CID66759556
Molecular FormulaC18H17ClO3
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Name(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
SMILESCOc1ccc(/C(=C\C(=O)O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO3/c1-22-17-10-6-14(7-11-17)15(12-18(20)21)5-2-13-3-8-16(19)9-4-13/h3-4,6-12H,2,5H2,1H3,(H,20,21)/b15-12-
InChIKeyODOLWMBSHKZSDY-QINSGFPZSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
(Z)-3-(4-methoxyphenyl)pent-2-enedioic acid
CID 70572343
(E)-1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]but-2-en-1-one
CID 6389116
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
CID 71377877
(E)-3-(4-propylphenyl)hex-2-enoic acid
CID 93185097
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
(E)-3-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731497
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid?
The IUPAC name of (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid (CID 66759556) is (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid.
What is the SMILES notation for (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid?
The canonical SMILES for (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid is COc1ccc(/C(=C\C(=O)O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid?
The InChIKey is ODOLWMBSHKZSDY-QINSGFPZSA-N. The full InChI is InChI=1S/C18H17ClO3/c1-22-17-10-6-14(7-11-17)15(12-18(20)21)5-2-13-3-8-16(19)9-4-13/h3-4,6-12H,2,5H2,1H3,(H,20,21)/b15-12-.
What are the key properties of (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid?
(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid has a molecular weight of 316.78 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid is sourced from PubChem (CID 66759556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).