2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone

C16H16O2 — CID 116709189

IUPAC2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
SMILESCOC(C(=O)c1cccc2ccccc12)C1CC1
InChIInChI=1S/C16H16O2/c1-18-16(12-9-10-12)15(17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3
InChIKeyGANRHIICHAZRMZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.45
Rot. Bonds4

About 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone

2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone (PubChem CID 116709189) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
PubChem CID116709189
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
SMILESCOC(C(=O)c1cccc2ccccc12)C1CC1
InChIInChI=1S/C16H16O2/c1-18-16(12-9-10-12)15(17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3
InChIKeyGANRHIICHAZRMZ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
CID 116708929
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone (CID 116709189) is 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone is COC(C(=O)c1cccc2ccccc12)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone?
The InChIKey is GANRHIICHAZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-18-16(12-9-10-12)15(17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,16H,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone?
2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone has a molecular weight of 240.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone is sourced from PubChem (CID 116709189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).