(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone

C19H22O2 — CID 106826561

IUPAC(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O2/c1-19(12-6-3-7-13-19)18(20)16-10-11-17(21-2)15-9-5-4-8-14(15)16/h4-5,8-11H,3,6-7,12-13H2,1-2H3
InChIKeyZFBJEJMPMQBONI-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.00
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone

(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106826561) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
PubChem CID106826561
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O2/c1-19(12-6-3-7-13-19)18(20)16-10-11-17(21-2)15-9-5-4-8-14(15)16/h4-5,8-11H,3,6-7,12-13H2,1-2H3
InChIKeyZFBJEJMPMQBONI-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
CID 106826594
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 103524264
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone (CID 106826561) is (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone is COc1ccc(C(=O)C2(C)CCCCC2)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is ZFBJEJMPMQBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(12-6-3-7-13-19)18(20)16-10-11-17(21-2)15-9-5-4-8-14(15)16/h4-5,8-11H,3,6-7,12-13H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone?
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 282.38 g/mol, XLogP of 5.00, 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)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106826561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).