2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde

C20H16O3 — CID 89131799

IUPAC2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2c(C(=O)c3ccccc3)c(CC=O)ccc2c1
InChIInChI=1S/C20H16O3/c1-23-17-9-10-18-16(13-17)8-7-14(11-12-21)19(18)20(22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyFWNLCNJXGYQSQM-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.82
Rot. Bonds5

About 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde

2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde (PubChem CID 89131799) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
PubChem CID89131799
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2c(C(=O)c3ccccc3)c(CC=O)ccc2c1
InChIInChI=1S/C20H16O3/c1-23-17-9-10-18-16(13-17)8-7-14(11-12-21)19(18)20(22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyFWNLCNJXGYQSQM-UHFFFAOYSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 19362260
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
2-acetyl-6-methoxynaphthalene-1-carboxylic acid
CID 90348531
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde (CID 89131799) is 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde is COc1ccc2c(C(=O)c3ccccc3)c(CC=O)ccc2c1.
What is the InChIKey of 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde?
The InChIKey is FWNLCNJXGYQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-23-17-9-10-18-16(13-17)8-7-14(11-12-21)19(18)20(22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde?
2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde has a molecular weight of 304.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 89131799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).