(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid

C18H20O4 — CID 70835115

IUPAC(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid
SMILESCC/C(=C/c1c(C)c(OC)c2ccccc2c1OC)C(=O)O
InChIInChI=1S/C18H20O4/c1-5-12(18(19)20)10-15-11(2)16(21-3)13-8-6-7-9-14(13)17(15)22-4/h6-10H,5H2,1-4H3,(H,19,20)/b12-10-
InChIKeyUUOBEXWLYNKEQB-BENRWUELSA-N
MW300.35 g/mol
LogP4.04
Rot. Bonds5

About (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid

(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid (PubChem CID 70835115) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid
PubChem CID70835115
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid
SMILESCC/C(=C/c1c(C)c(OC)c2ccccc2c1OC)C(=O)O
InChIInChI=1S/C18H20O4/c1-5-12(18(19)20)10-15-11(2)16(21-3)13-8-6-7-9-14(13)17(15)22-4/h6-10H,5H2,1-4H3,(H,19,20)/b12-10-
InChIKeyUUOBEXWLYNKEQB-BENRWUELSA-N
XLogP4.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic 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

(2E)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid
CID 70835103
(E)-3-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylprop-2-enoic acid
CID 46180244
(E)-3-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylprop-2-enal
CID 89014549
(2E)-2-[(2,6-dichlorophenyl)methylidene]butanoic acid
CID 90018909
ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
CID 75164211
(2E)-6-pyridin-3-yl-2-[(2,4,5-trimethoxy-3,6-dimethylphenyl)methylidene]hexanoic acid
CID 10573010
ethyl 3-(3-bromo-1,4-dimethoxynaphthalen-2-yl)-2-methylprop-2-enoate
CID 75164236
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
4-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylbut-2-enal
CID 86141034
(2E)-2-[(3-chloro-1,4-dimethoxynaphthalen-2-yl)methylidene]-3-methoxybutanoic acid
CID 68795977
2-[[2-(methoxymethoxy)phenyl]methylidene]butanoic acid
CID 77271296
2-[(2-chlorophenyl)methylidene]butanoic acid
CID 54425924

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid?
The IUPAC name of (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid (CID 70835115) is (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid.
What is the SMILES notation for (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid?
The canonical SMILES for (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid is CC/C(=C/c1c(C)c(OC)c2ccccc2c1OC)C(=O)O.
What is the InChIKey of (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid?
The InChIKey is UUOBEXWLYNKEQB-BENRWUELSA-N. The full InChI is InChI=1S/C18H20O4/c1-5-12(18(19)20)10-15-11(2)16(21-3)13-8-6-7-9-14(13)17(15)22-4/h6-10H,5H2,1-4H3,(H,19,20)/b12-10-.
What are the key properties of (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid?
(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid has a molecular weight of 300.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid is sourced from PubChem (CID 70835115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).