(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone

C16H16O2 — CID 43340021

IUPAC(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2CC2C)c2ccccc12
InChIInChI=1S/C16H16O2/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3
InChIKeyLOWZARKRRDIDAI-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.69
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone

(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone (PubChem CID 43340021) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
PubChem CID43340021
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2CC2C)c2ccccc12
InChIInChI=1S/C16H16O2/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3
InChIKeyLOWZARKRRDIDAI-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943190
(4-methoxynaphthalen-1-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943186
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate
CID 99993029
(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
CID 78777290
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone (CID 43340021) is (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone is COc1ccc(C(=O)C2CC2C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone?
The InChIKey is LOWZARKRRDIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-10-9-14(10)16(17)13-7-8-15(18-2)12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone?
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone has a molecular weight of 240.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 43340021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).