(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

C16H12Cl2O3 — CID 83954743

IUPAC(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C/c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C16H12Cl2O3/c1-21-15-5-3-2-4-12(15)13(16(19)20)8-10-6-7-11(17)9-14(10)18/h2-9H,1H3,(H,19,20)/b13-8-
InChIKeyFDWWOZRXGILIQB-JYRVWZFOSA-N
MW323.18 g/mol
LogP4.63
Rot. Bonds4

About (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 83954743) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID83954743
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C/c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C16H12Cl2O3/c1-21-15-5-3-2-4-12(15)13(16(19)20)8-10-6-7-11(17)9-14(10)18/h2-9H,1H3,(H,19,20)/b13-8-
InChIKeyFDWWOZRXGILIQB-JYRVWZFOSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83953650
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83954749
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83953659
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
CID 83955775
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950746
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (CID 83954743) is (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is COc1ccccc1/C(=C/c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is FDWWOZRXGILIQB-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H12Cl2O3/c1-21-15-5-3-2-4-12(15)13(16(19)20)8-10-6-7-11(17)9-14(10)18/h2-9H,1H3,(H,19,20)/b13-8-.
What are the key properties of (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 323.18 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).