(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

C23H22O3 — CID 7740706

IUPAC(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCc3cc(C)ccc3C)ccc2c1
InChIInChI=1S/C23H22O3/c1-16-4-5-17(2)21(12-16)15-26-23(24)11-7-18-6-8-20-14-22(25-3)10-9-19(20)13-18/h4-14H,15H2,1-3H3/b11-7+
InChIKeyZKPRDRFJGLECPB-YRNVUSSQSA-N
MW346.43 g/mol
LogP5.22
Rot. Bonds5

About (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 7740706) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
PubChem CID7740706
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
SMILESCOc1ccc2cc(/C=C/C(=O)OCc3cc(C)ccc3C)ccc2c1
InChIInChI=1S/C23H22O3/c1-16-4-5-17(2)21(12-16)15-26-23(24)11-7-18-6-8-20-14-22(25-3)10-9-19(20)13-18/h4-14H,15H2,1-3H3/b11-7+
InChIKeyZKPRDRFJGLECPB-YRNVUSSQSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740353
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
(2-methoxy-5-methylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7604112
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
(2,5-dimethylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 918141
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384897
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6087705
(2-methoxy-5-methylphenyl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 8935597
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 4532274
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7766313

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate (CID 7740706) is (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is COc1ccc2cc(/C=C/C(=O)OCc3cc(C)ccc3C)ccc2c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is ZKPRDRFJGLECPB-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H22O3/c1-16-4-5-17(2)21(12-16)15-26-23(24)11-7-18-6-8-20-14-22(25-3)10-9-19(20)13-18/h4-14H,15H2,1-3H3/b11-7+.
What are the key properties of (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate?
(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 346.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 7740706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).