(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

C22H20O3 — CID 7740353

IUPAC(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C22H20O3/c1-16-3-5-18(6-4-16)15-25-22(23)12-8-17-7-9-20-14-21(24-2)11-10-19(20)13-17/h3-14H,15H2,1-2H3/b12-8+
InChIKeyJUINXJCEORZMNY-XYOKQWHBSA-N
MW332.40 g/mol
LogP4.91
Rot. Bonds5

About (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 7740353) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
PubChem CID7740353
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C22H20O3/c1-16-3-5-18(6-4-16)15-25-22(23)12-8-17-7-9-20-14-21(24-2)11-10-19(20)13-17/h3-14H,15H2,1-2H3/b12-8+
InChIKeyJUINXJCEORZMNY-XYOKQWHBSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate 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

(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740706
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(4-cyanophenyl)methyl 3-(4-methylphenyl)prop-2-enoate
CID 3898761
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861465
(4-methylphenyl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7607527
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740438

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (CID 7740353) is (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is COc1ccc2cc(/C=C/C(=O)OCc3ccc(C)cc3)ccc2c1.
What is the InChIKey of (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is JUINXJCEORZMNY-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H20O3/c1-16-3-5-18(6-4-16)15-25-22(23)12-8-17-7-9-20-14-21(24-2)11-10-19(20)13-17/h3-14H,15H2,1-2H3/b12-8+.
What are the key properties of (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 332.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 7740353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).