(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid

C20H19ClO4 — CID 88638678

IUPAC(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid
SMILESCOc1ccc(C(=C\CC(=O)O)/C=C/c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H19ClO4/c1-24-18-11-7-16(13-19(18)25-2)15(8-12-20(22)23)6-3-14-4-9-17(21)10-5-14/h3-11,13H,12H2,1-2H3,(H,22,23)/b6-3+,15-8-
InChIKeyGDBJDUGNGJFWME-DDHXKYOOSA-N
MW358.82 g/mol
LogP4.93
Rot. Bonds7

About (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid

(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid (PubChem CID 88638678) has the molecular formula C20H19ClO4 and a molecular weight of 358.82 g/mol. Its IUPAC name is (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid
PubChem CID88638678
Molecular FormulaC20H19ClO4
Molecular Weight358.82 g/mol
Exact Mass358.10
IUPAC Name(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid
SMILESCOc1ccc(C(=C\CC(=O)O)/C=C/c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H19ClO4/c1-24-18-11-7-16(13-19(18)25-2)15(8-12-20(22)23)6-3-14-4-9-17(21)10-5-14/h3-11,13H,12H2,1-2H3,(H,22,23)/b6-3+,15-8-
InChIKeyGDBJDUGNGJFWME-DDHXKYOOSA-N
XLogP4.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 91690018
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
3-(4-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one
CID 4230109
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
[2-[3-(4-chlorophenyl)prop-2-enoyl]-5-methoxyphenyl] 3,4-dimethoxybenzoate
CID 2919124
(1E,6E)-1-(4-chlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554597
carbonic acid;4-[5-(4-chlorophenyl)hexa-2,4-dien-3-yl]-1,2-dimethoxybenzene
CID 88725709
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 4-chlorobenzoate
CID 19171170
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 19171057
3-[4-(3,4-dimethoxybenzoyl)oxyphenyl]prop-2-enoic acid
CID 70242776
(E)-1-(4-chlorophenyl)-3-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-en-1-one
CID 19552934

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid?
The IUPAC name of (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid (CID 88638678) is (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid.
What is the SMILES notation for (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid?
The canonical SMILES for (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid is COc1ccc(C(=C\CC(=O)O)/C=C/c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid?
The InChIKey is GDBJDUGNGJFWME-DDHXKYOOSA-N. The full InChI is InChI=1S/C20H19ClO4/c1-24-18-11-7-16(13-19(18)25-2)15(8-12-20(22)23)6-3-14-4-9-17(21)10-5-14/h3-11,13H,12H2,1-2H3,(H,22,23)/b6-3+,15-8-.
What are the key properties of (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid?
(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid has a molecular weight of 358.82 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid is sourced from PubChem (CID 88638678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).