(1-methoxycycloheptyl)-naphthalen-2-ylmethanone

C19H22O2 — CID 116750403

IUPAC(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
SMILESCOC1(C(=O)c2ccc3ccccc3c2)CCCCCC1
InChIInChI=1S/C19H22O2/c1-21-19(12-6-2-3-7-13-19)18(20)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3
InChIKeyZKKMJUAJNLXPOT-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.76
Rot. Bonds3

About (1-methoxycycloheptyl)-naphthalen-2-ylmethanone

(1-methoxycycloheptyl)-naphthalen-2-ylmethanone (PubChem CID 116750403) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
PubChem CID116750403
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
SMILESCOC1(C(=O)c2ccc3ccccc3c2)CCCCCC1
InChIInChI=1S/C19H22O2/c1-21-19(12-6-2-3-7-13-19)18(20)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3
InChIKeyZKKMJUAJNLXPOT-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
[1-(4-methoxybenzoyl)cyclohexyl] formate
CID 87509300
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
ethane;methyl naphthalene-2-carboxylate
CID 143895262

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-naphthalen-2-ylmethanone?
The IUPAC name of (1-methoxycycloheptyl)-naphthalen-2-ylmethanone (CID 116750403) is (1-methoxycycloheptyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (1-methoxycycloheptyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (1-methoxycycloheptyl)-naphthalen-2-ylmethanone is COC1(C(=O)c2ccc3ccccc3c2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-naphthalen-2-ylmethanone?
The InChIKey is ZKKMJUAJNLXPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-21-19(12-6-2-3-7-13-19)18(20)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-naphthalen-2-ylmethanone?
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone has a molecular weight of 282.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 116750403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).