3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde

C18H16O — CID 23015780

IUPAC3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde
SMILESCC1=CCC(c2cc3ccccc3cc2C=O)=C1C
InChIInChI=1S/C18H16O/c1-12-7-8-17(13(12)2)18-10-15-6-4-3-5-14(15)9-16(18)11-19/h3-7,9-11H,8H2,1-2H3
InChIKeyOSEFIWYXQBVAOP-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.78
Rot. Bonds2

About 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde

3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde (PubChem CID 23015780) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde
PubChem CID23015780
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde
SMILESCC1=CCC(c2cc3ccccc3cc2C=O)=C1C
InChIInChI=1S/C18H16O/c1-12-7-8-17(13(12)2)18-10-15-6-4-3-5-14(15)9-16(18)11-19/h3-7,9-11H,8H2,1-2H3
InChIKeyOSEFIWYXQBVAOP-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tonalide
CID 89440
1-Naphthaldehyde
CID 6195
2-Acetylnaphthalene
CID 7122
2,4,6-Trimethylbenzaldehyde
CID 10254
2-Ethylanthraquinone
CID 6772
2,4-Dimethylbenzaldehyde
CID 61814
Phenalenone
CID 11050
3,4-Dimethylbenzaldehyde
CID 22278
2-Naphthalenecarboxaldehyde
CID 6201
1-Acetylnaphthalene
CID 13663
(1,1'-Biphenyl)-4-carboxaldehyde
CID 76689
2-tert-Butylanthraquinone
CID 66532

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde?
The IUPAC name of 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde (CID 23015780) is 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde?
The canonical SMILES for 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde is CC1=CCC(c2cc3ccccc3cc2C=O)=C1C.
What is the InChIKey of 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde?
The InChIKey is OSEFIWYXQBVAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-8-17(13(12)2)18-10-15-6-4-3-5-14(15)9-16(18)11-19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde?
3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde has a molecular weight of 248.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 23015780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).