ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate

C27H22O2 — CID 102265861

IUPACethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(-c2ccccc2)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H22O2/c1-2-29-27(28)18-17-24-22-15-9-10-16-23(22)25(20-11-5-3-6-12-20)19-26(24)21-13-7-4-8-14-21/h3-19H,2H2,1H3/b18-17+
InChIKeyCPRIMRQVPCNKSD-ISLYRVAYSA-N
MW378.47 g/mol
LogP6.75
Rot. Bonds5

About ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate

ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate (PubChem CID 102265861) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
PubChem CID102265861
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Nameethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(-c2ccccc2)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H22O2/c1-2-29-27(28)18-17-24-22-15-9-10-16-23(22)25(20-11-5-3-6-12-20)19-26(24)21-13-7-4-8-14-21/h3-19H,2H2,1H3/b18-17+
InChIKeyCPRIMRQVPCNKSD-ISLYRVAYSA-N
XLogP6.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
CID 102081965
ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate
CID 102309016
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
ethyl 3-[4-(2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoate
CID 70016911
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-benzothiophen-3-yl]prop-2-enoate
CID 135014800
ethyl (E)-3-[2-(2-methylphenyl)sulfanylnaphthalen-1-yl]prop-2-enoate
CID 146162708
ethyl 3-(4-bromo-2,6-dimethylphenyl)prop-2-enoate
CID 169481177
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate (CID 102265861) is ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate is CCOC(=O)/C=C/c1c(-c2ccccc2)cc(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate?
The InChIKey is CPRIMRQVPCNKSD-ISLYRVAYSA-N. The full InChI is InChI=1S/C27H22O2/c1-2-29-27(28)18-17-24-22-15-9-10-16-23(22)25(20-11-5-3-6-12-20)19-26(24)21-13-7-4-8-14-21/h3-19H,2H2,1H3/b18-17+.
What are the key properties of ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate?
ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate has a molecular weight of 378.47 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 102265861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).