(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate

C18H20O3 — CID 60592496

IUPAC(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
SMILESCOc1ccc2ccc(OC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C18H20O3/c1-20-16-9-7-13-8-10-17(12-15(13)11-16)21-18(19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyPQZWSWBLNDFWLQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.33
Rot. Bonds3

About (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate

(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate (PubChem CID 60592496) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
PubChem CID60592496
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
SMILESCOc1ccc2ccc(OC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C18H20O3/c1-20-16-9-7-13-8-10-17(12-15(13)11-16)21-18(19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyPQZWSWBLNDFWLQ-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
[4-(cyclohexanecarbonyloxy)-3-methylphenyl] cyclohexanecarboxylate
CID 849296
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(7-methoxynaphthalen-2-yl) 1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43059713
(7-methoxynaphthalen-2-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 46523653
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
CID 23856260
trans-dinaphthalen-2-yl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 101049037
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] cyclohexanecarboxylate
CID 44669858
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate?
The IUPAC name of (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate (CID 60592496) is (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate is COc1ccc2ccc(OC(=O)C3CCCCC3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate?
The InChIKey is PQZWSWBLNDFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-16-9-7-13-8-10-17(12-15(13)11-16)21-18(19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate?
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate has a molecular weight of 284.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) cyclohexanecarboxylate is sourced from PubChem (CID 60592496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).