(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid

C15H20O4 — CID 146568350

IUPAC(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
SMILESCOc1ccc(C/C=C\CCCC(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-18-13-10-9-12(11-14(13)19-2)7-5-3-4-6-8-15(16)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,16,17)/b5-3-
InChIKeyKLDSGEXHKJJHAY-HYXAFXHYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds8

About (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid

(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid (PubChem CID 146568350) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
PubChem CID146568350
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
SMILESCOc1ccc(C/C=C\CCCC(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-18-13-10-9-12(11-14(13)19-2)7-5-3-4-6-8-15(16)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,16,17)/b5-3-
InChIKeyKLDSGEXHKJJHAY-HYXAFXHYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
CID 88651362
(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide
CID 71529387
(2-methoxy-4-prop-2-enylphenyl) (Z)-non-5-enoate
CID 140764178
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
(E)-6-(3-fluoro-4-methoxyphenyl)hex-5-enoic acid
CID 95453750
(2-methoxy-4-prop-2-enylphenyl) (Z)-octadec-9-enoate
CID 67822934
12-(4-hydroxy-3-methoxyphenyl)-10-oxododec-8-enoic acid
CID 85050083
3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]propanoic acid
CID 94771142
(E)-6-(2-methoxy-5-methylphenyl)hept-5-enoic acid
CID 95458929
[5-[(E)-4-(3,4-dimethoxyphenyl)but-2-enyl]-2-methoxyphenyl]-methylideneoxidanium
CID 58000822

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid?
The IUPAC name of (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid (CID 146568350) is (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid.
What is the SMILES notation for (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid?
The canonical SMILES for (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid is COc1ccc(C/C=C\CCCC(=O)O)cc1OC.
What is the InChIKey of (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid?
The InChIKey is KLDSGEXHKJJHAY-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-13-10-9-12(11-14(13)19-2)7-5-3-4-6-8-15(16)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,16,17)/b5-3-.
What are the key properties of (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid?
(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid is sourced from PubChem (CID 146568350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).