1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde

C20H16O2 — CID 165389450

IUPAC1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
SMILESCOc1cccc(/C=C\c2c(C=O)ccc3ccccc23)c1
InChIInChI=1S/C20H16O2/c1-22-18-7-4-5-15(13-18)9-12-20-17(14-21)11-10-16-6-2-3-8-19(16)20/h2-14H,1H3/b12-9-
InChIKeySWSGMNVIJSPATA-XFXZXTDPSA-N
MW288.35 g/mol
LogP4.83
Rot. Bonds4

About 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde

1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde (PubChem CID 165389450) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
PubChem CID165389450
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
SMILESCOc1cccc(/C=C\c2c(C=O)ccc3ccccc23)c1
InChIInChI=1S/C20H16O2/c1-22-18-7-4-5-15(13-18)9-12-20-17(14-21)11-10-16-6-2-3-8-19(16)20/h2-14H,1H3/b12-9-
InChIKeySWSGMNVIJSPATA-XFXZXTDPSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
CID 57387489
[3-[(E)-2-[1-[2-[(E)-2-[3-(4-methoxybenzoyl)oxyphenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]ethenyl]phenyl] 4-methoxybenzoate
CID 162498616
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
CID 67900431
CID 67900431
3-methoxychrysene-5-carbaldehyde
CID 25194479
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-6-(3-methoxyphenyl)hex-5-en-3-one
CID 71490780

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde?
The IUPAC name of 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde (CID 165389450) is 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde?
The canonical SMILES for 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde is COc1cccc(/C=C\c2c(C=O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde?
The InChIKey is SWSGMNVIJSPATA-XFXZXTDPSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-18-7-4-5-15(13-18)9-12-20-17(14-21)11-10-16-6-2-3-8-19(16)20/h2-14H,1H3/b12-9-.
What are the key properties of 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde?
1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde has a molecular weight of 288.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 165389450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).