3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one

C17H16O3 — CID 79638807

IUPAC3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
SMILESCOc1ccc2cc(C(=O)C3CCC(=O)C3)ccc2c1
InChIInChI=1S/C17H16O3/c1-20-16-7-5-11-8-13(3-2-12(11)10-16)17(19)14-4-6-15(18)9-14/h2-3,5,7-8,10,14H,4,6,9H2,1H3
InChIKeyQKDHHAPXZKSBTJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.40
Rot. Bonds3

About 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one

3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one (PubChem CID 79638807) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
PubChem CID79638807
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
SMILESCOc1ccc2cc(C(=O)C3CCC(=O)C3)ccc2c1
InChIInChI=1S/C17H16O3/c1-20-16-7-5-11-8-13(3-2-12(11)10-16)17(19)14-4-6-15(18)9-14/h2-3,5,7-8,10,14H,4,6,9H2,1H3
InChIKeyQKDHHAPXZKSBTJ-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
CID 79638515
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
3-(4-ethylbenzoyl)cyclopentan-1-one
CID 79639553
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one?
The IUPAC name of 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one (CID 79638807) is 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one?
The canonical SMILES for 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one is COc1ccc2cc(C(=O)C3CCC(=O)C3)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one?
The InChIKey is QKDHHAPXZKSBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-20-16-7-5-11-8-13(3-2-12(11)10-16)17(19)14-4-6-15(18)9-14/h2-3,5,7-8,10,14H,4,6,9H2,1H3.
What are the key properties of 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one?
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 79638807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).