(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

C15H18O4 — CID 84638800

IUPAC(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCOc1cc2c(cc1OC)/C(=C/C(=O)O)C(C)CC2
InChIInChI=1S/C15H18O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)/b11-8+
InChIKeyJIFNYOCSCSEMCV-DHZHZOJOSA-N
MW262.31 g/mol
LogP2.75
Rot. Bonds3

About (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (PubChem CID 84638800) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
PubChem CID84638800
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCOc1cc2c(cc1OC)/C(=C/C(=O)O)C(C)CC2
InChIInChI=1S/C15H18O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)/b11-8+
InChIKeyJIFNYOCSCSEMCV-DHZHZOJOSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (CID 84638800) is (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is COc1cc2c(cc1OC)/C(=C/C(=O)O)C(C)CC2.
What is the InChIKey of (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The InChIKey is JIFNYOCSCSEMCV-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)/b11-8+.
What are the key properties of (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
(2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is sourced from PubChem (CID 84638800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).