2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid

C18H26O3 — CID 67747447

IUPAC2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid
SMILESCOc1ccc(C=C(CCCCCC(C)C)C(=O)O)cc1
InChIInChI=1S/C18H26O3/c1-14(2)7-5-4-6-8-16(18(19)20)13-15-9-11-17(21-3)12-10-15/h9-14H,4-8H2,1-3H3,(H,19,20)
InChIKeyGAITVXBCHWQWAR-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.77
Rot. Bonds9

About 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid

2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid (PubChem CID 67747447) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid
PubChem CID67747447
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid
SMILESCOc1ccc(C=C(CCCCCC(C)C)C(=O)O)cc1
InChIInChI=1S/C18H26O3/c1-14(2)7-5-4-6-8-16(18(19)20)13-15-9-11-17(21-3)12-10-15/h9-14H,4-8H2,1-3H3,(H,19,20)
InChIKeyGAITVXBCHWQWAR-UHFFFAOYSA-N
XLogP4.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687822
(2Z)-2-benzylidene-5-methylhexanoic acid
CID 70273739
(2E)-2-[(4-methoxyphenyl)methylidene]-5,9,13-trimethyltetradeca-8,12-dienoic acid
CID 155024023
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
6-methylheptyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 22341896
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(2Z)-4-hydroxy-4-(2-hydroxyethylamino)-2-[(4-methoxyphenyl)methylidene]butanoic acid
CID 141485871
(Z)-2-(1,3,3a,4,7,7a-hexahydroisoindol-2-ylmethyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 23184440
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
2-carbonoperoxoyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 173209680
(2E)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-methoxyphenyl)methylidene]-4-oxobutanoic acid
CID 67759515

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid (CID 67747447) is 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid is COc1ccc(C=C(CCCCCC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid?
The InChIKey is GAITVXBCHWQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-14(2)7-5-4-6-8-16(18(19)20)13-15-9-11-17(21-3)12-10-15/h9-14H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid?
2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid is sourced from PubChem (CID 67747447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).