[cyclohexyl(naphthalen-1-yl)methyl] acetate

C19H22O2 — CID 150589052

IUPAC[cyclohexyl(naphthalen-1-yl)methyl] acetate
SMILESCC(=O)OC(c1cccc2ccccc12)C1CCCCC1
InChIInChI=1S/C19H22O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h5-8,11-13,16,19H,2-4,9-10H2,1H3
InChIKeyIPLZCBSENNGTDV-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.02
Rot. Bonds3

About [cyclohexyl(naphthalen-1-yl)methyl] acetate

[cyclohexyl(naphthalen-1-yl)methyl] acetate (PubChem CID 150589052) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [cyclohexyl(naphthalen-1-yl)methyl] acetate.

Molecular Properties

Compound Name[cyclohexyl(naphthalen-1-yl)methyl] acetate
PubChem CID150589052
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[cyclohexyl(naphthalen-1-yl)methyl] acetate
SMILESCC(=O)OC(c1cccc2ccccc12)C1CCCCC1
InChIInChI=1S/C19H22O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h5-8,11-13,16,19H,2-4,9-10H2,1H3
InChIKeyIPLZCBSENNGTDV-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473
[(4-bromophenyl)-cyclohexylmethyl] acetate
CID 22503006
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
bis(2-cyclohexyl-1-naphthalen-1-yl-2-oxoethyl) (E)-but-2-enedioate
CID 141044789
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
CID 10802419
1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 10948739
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(naphthalen-1-yl)methyl] acetate?
The IUPAC name of [cyclohexyl(naphthalen-1-yl)methyl] acetate (CID 150589052) is [cyclohexyl(naphthalen-1-yl)methyl] acetate.
What is the SMILES notation for [cyclohexyl(naphthalen-1-yl)methyl] acetate?
The canonical SMILES for [cyclohexyl(naphthalen-1-yl)methyl] acetate is CC(=O)OC(c1cccc2ccccc12)C1CCCCC1.
What is the InChIKey of [cyclohexyl(naphthalen-1-yl)methyl] acetate?
The InChIKey is IPLZCBSENNGTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h5-8,11-13,16,19H,2-4,9-10H2,1H3.
What are the key properties of [cyclohexyl(naphthalen-1-yl)methyl] acetate?
[cyclohexyl(naphthalen-1-yl)methyl] acetate has a molecular weight of 282.38 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(naphthalen-1-yl)methyl] acetate is sourced from PubChem (CID 150589052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).