3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde

C16H12O2 — CID 106888487

IUPAC3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
SMILESCc1ccc2ccccc2c1-c1ccoc1C=O
InChIInChI=1S/C16H12O2/c1-11-6-7-12-4-2-3-5-13(12)16(11)14-8-9-18-15(14)10-17/h2-10H,1H3
InChIKeyWQYHSQJDKFYAQM-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.22
Rot. Bonds2

About 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde

3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde (PubChem CID 106888487) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
PubChem CID106888487
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
SMILESCc1ccc2ccccc2c1-c1ccoc1C=O
InChIInChI=1S/C16H12O2/c1-11-6-7-12-4-2-3-5-13(12)16(11)14-8-9-18-15(14)10-17/h2-10H,1H3
InChIKeyWQYHSQJDKFYAQM-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
CID 106886583

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde?
The IUPAC name of 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde (CID 106888487) is 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde is Cc1ccc2ccccc2c1-c1ccoc1C=O.
What is the InChIKey of 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde?
The InChIKey is WQYHSQJDKFYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-11-6-7-12-4-2-3-5-13(12)16(11)14-8-9-18-15(14)10-17/h2-10H,1H3.
What are the key properties of 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde?
3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).