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

C16H12Cl2O3 — CID 19421682

IUPAC(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-21-11-7-5-10(6-8-11)13(9-15(19)20)12-3-2-4-14(17)16(12)18/h2-9H,1H3,(H,19,20)/b13-9-
InChIKeyWIPGMGKWHXOZHH-LCYFTJDESA-N
MW323.18 g/mol
LogP4.52
Rot. Bonds4

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

(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 19421682) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID19421682
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-21-11-7-5-10(6-8-11)13(9-15(19)20)12-3-2-4-14(17)16(12)18/h2-9H,1H3,(H,19,20)/b13-9-
InChIKeyWIPGMGKWHXOZHH-LCYFTJDESA-N
XLogP4.52
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 ≤ 54.52
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

(E)-3-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731497
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
(E)-3-(3-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-enal
CID 146451505
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421507
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
(E)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 22731222
(Z)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 21307379
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 19421550

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid (CID 19421682) is (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C/C(=O)O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is WIPGMGKWHXOZHH-LCYFTJDESA-N. The full InChI is InChI=1S/C16H12Cl2O3/c1-21-11-7-5-10(6-8-11)13(9-15(19)20)12-3-2-4-14(17)16(12)18/h2-9H,1H3,(H,19,20)/b13-9-.
What are the key properties of (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 323.18 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 19421682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).