[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate

C18H16O4 — CID 21495442

IUPAC[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
SMILESO=C(Oc1ccc2ccc(OC(=O)C3CC3)cc2c1)C1CC1
InChIInChI=1S/C18H16O4/c19-17(12-1-2-12)21-15-7-5-11-6-8-16(10-14(11)9-15)22-18(20)13-3-4-13/h5-10,12-13H,1-4H2
InChIKeyWWYPHZIIDKQILP-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.47
Rot. Bonds4

About [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate

[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate (PubChem CID 21495442) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
PubChem CID21495442
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
SMILESO=C(Oc1ccc2ccc(OC(=O)C3CC3)cc2c1)C1CC1
InChIInChI=1S/C18H16O4/c19-17(12-1-2-12)21-15-7-5-11-6-8-16(10-14(11)9-15)22-18(20)13-3-4-13/h5-10,12-13H,1-4H2
InChIKeyWWYPHZIIDKQILP-UHFFFAOYSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl cyclopropanecarboxylate
CID 532295
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
CID 58671942
trans-dinaphthalen-2-yl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 101049037
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
(6,7-difluoronaphthalen-2-yl) 4-heptylcyclohexane-1-carboxylate
CID 139853971
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
(3-aminophenyl) cyclopropanecarboxylate
CID 175156666
naphthalen-2-yl (1R,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 796702
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
CID 174763005

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate?
The IUPAC name of [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate (CID 21495442) is [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate is O=C(Oc1ccc2ccc(OC(=O)C3CC3)cc2c1)C1CC1.
What is the InChIKey of [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate?
The InChIKey is WWYPHZIIDKQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c19-17(12-1-2-12)21-15-7-5-11-6-8-16(10-14(11)9-15)22-18(20)13-3-4-13/h5-10,12-13H,1-4H2.
What are the key properties of [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate?
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate has a molecular weight of 296.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 21495442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).