3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde

C16H12O3 — CID 106888428

IUPAC3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccoc2C=O)c2ccccc12
InChIInChI=1S/C16H12O3/c1-18-15-7-6-12(11-4-2-3-5-13(11)15)14-8-9-19-16(14)10-17/h2-10H,1H3
InChIKeyRSNJWPCGHPWQSZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.92
Rot. Bonds3

About 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde

3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde (PubChem CID 106888428) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
PubChem CID106888428
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccoc2C=O)c2ccccc12
InChIInChI=1S/C16H12O3/c1-18-15-7-6-12(11-4-2-3-5-13(11)15)14-8-9-19-16(14)10-17/h2-10H,1H3
InChIKeyRSNJWPCGHPWQSZ-UHFFFAOYSA-N
XLogP3.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.92
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

3-(2-formylfuran-3-yl)-4-methoxybenzonitrile
CID 106951012
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888487
3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
CID 106886589
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
CID 3805664
1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
CID 173197365
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
(5-methoxynaphthalen-1-yl) formate
CID 11447000
1-chloro-4-methoxynaphthalene
CID 606038
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde?
The IUPAC name of 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde (CID 106888428) is 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde is COc1ccc(-c2ccoc2C=O)c2ccccc12.
What is the InChIKey of 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde?
The InChIKey is RSNJWPCGHPWQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-15-7-6-12(11-4-2-3-5-13(11)15)14-8-9-19-16(14)10-17/h2-10H,1H3.
What are the key properties of 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde?
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106888428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).