(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate

C21H20O5 — CID 27846226

IUPAC(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C21H20O5/c1-23-17-7-5-15-6-8-18(13-16(15)12-17)26-21(22)11-14-4-9-19(24-2)20(10-14)25-3/h4-10,12-13H,11H2,1-3H3
InChIKeyYFBFHKMPGZJDBV-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.01
Rot. Bonds6

About (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate

(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 27846226) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
PubChem CID27846226
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C21H20O5/c1-23-17-7-5-15-6-8-18(13-16(15)12-17)26-21(22)11-14-4-9-19(24-2)20(10-14)25-3/h4-10,12-13H,11H2,1-3H3
InChIKeyYFBFHKMPGZJDBV-UHFFFAOYSA-N
XLogP4.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate 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

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate
CID 36832775
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate (CID 27846226) is (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate is COc1ccc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is YFBFHKMPGZJDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-23-17-7-5-15-6-8-18(13-16(15)12-17)26-21(22)11-14-4-9-19(24-2)20(10-14)25-3/h4-10,12-13H,11H2,1-3H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 352.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 27846226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).