(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal

C20H16O2 — CID 71812647

IUPAC(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
SMILESCOc1ccc2cc(/C(C=O)=C\c3ccccc3)ccc2c1
InChIInChI=1S/C20H16O2/c1-22-20-10-9-16-12-17(7-8-18(16)13-20)19(14-21)11-15-5-3-2-4-6-15/h2-14H,1H3/b19-11-
InChIKeyQASZMHVXUBSMLI-ODLFYWEKSA-N
MW288.35 g/mol
LogP4.59
Rot. Bonds4

About (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal

(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal (PubChem CID 71812647) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal.

Molecular Properties

Compound Name(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
PubChem CID71812647
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
SMILESCOc1ccc2cc(/C(C=O)=C\c3ccccc3)ccc2c1
InChIInChI=1S/C20H16O2/c1-22-20-10-9-16-12-17(7-8-18(16)13-20)19(14-21)11-15-5-3-2-4-6-15/h2-14H,1H3/b19-11-
InChIKeyQASZMHVXUBSMLI-ODLFYWEKSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
(E)-3-amino-2-(3-methoxyphenyl)prop-2-enal
CID 173430075
(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
CID 21354869
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173

Frequently Asked Questions

What is the IUPAC name of (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal?
The IUPAC name of (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal (CID 71812647) is (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal.
What is the SMILES notation for (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal?
The canonical SMILES for (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal is COc1ccc2cc(/C(C=O)=C\c3ccccc3)ccc2c1.
What is the InChIKey of (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal?
The InChIKey is QASZMHVXUBSMLI-ODLFYWEKSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-20-10-9-16-12-17(7-8-18(16)13-20)19(14-21)11-15-5-3-2-4-6-15/h2-14H,1H3/b19-11-.
What are the key properties of (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal?
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal has a molecular weight of 288.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal is sourced from PubChem (CID 71812647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).