4-methyl-3-phenylnaphthalene-2-carbaldehyde

C18H14O — CID 102040919

IUPAC4-methyl-3-phenylnaphthalene-2-carbaldehyde
SMILESCc1c(-c2ccccc2)c(C=O)cc2ccccc12
InChIInChI=1S/C18H14O/c1-13-17-10-6-5-9-15(17)11-16(12-19)18(13)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyKBGMQVOOAICLIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.63
Rot. Bonds2

About 4-methyl-3-phenylnaphthalene-2-carbaldehyde

4-methyl-3-phenylnaphthalene-2-carbaldehyde (PubChem CID 102040919) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methyl-3-phenylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-3-phenylnaphthalene-2-carbaldehyde
PubChem CID102040919
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name4-methyl-3-phenylnaphthalene-2-carbaldehyde
SMILESCc1c(-c2ccccc2)c(C=O)cc2ccccc12
InChIInChI=1S/C18H14O/c1-13-17-10-6-5-9-15(17)11-16(12-19)18(13)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyKBGMQVOOAICLIT-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.63
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

3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
CID 173151279
phenanthrene-2,3-dicarbaldehyde
CID 10466547
2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
CID 101108881
3-chloronaphthalene-1-carbaldehyde
CID 18673614
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
CID 118473639
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylnaphthalene-2-carbaldehyde?
The IUPAC name of 4-methyl-3-phenylnaphthalene-2-carbaldehyde (CID 102040919) is 4-methyl-3-phenylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-methyl-3-phenylnaphthalene-2-carbaldehyde?
The canonical SMILES for 4-methyl-3-phenylnaphthalene-2-carbaldehyde is Cc1c(-c2ccccc2)c(C=O)cc2ccccc12.
What is the InChIKey of 4-methyl-3-phenylnaphthalene-2-carbaldehyde?
The InChIKey is KBGMQVOOAICLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-13-17-10-6-5-9-15(17)11-16(12-19)18(13)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 4-methyl-3-phenylnaphthalene-2-carbaldehyde?
4-methyl-3-phenylnaphthalene-2-carbaldehyde has a molecular weight of 246.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 102040919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).