1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

C15H14O2 — CID 105483868

IUPAC1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc2cccc(C3(C=O)CC3)c2c1
InChIInChI=1S/C15H14O2/c1-17-12-6-5-11-3-2-4-14(13(11)9-12)15(10-16)7-8-15/h2-6,9-10H,7-8H2,1H3
InChIKeyBXZZYIINQKDWET-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.08
Rot. Bonds3

About 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (PubChem CID 105483868) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
PubChem CID105483868
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc2cccc(C3(C=O)CC3)c2c1
InChIInChI=1S/C15H14O2/c1-17-12-6-5-11-3-2-4-14(13(11)9-12)15(10-16)7-8-15/h2-6,9-10H,7-8H2,1H3
InChIKeyBXZZYIINQKDWET-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (CID 105483868) is 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is COc1ccc2cccc(C3(C=O)CC3)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The InChIKey is BXZZYIINQKDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-17-12-6-5-11-3-2-4-14(13(11)9-12)15(10-16)7-8-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105483868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).