naphthalen-2-yl cyclopropanecarboxylate

C14H12O2 — CID 532295

IUPACnaphthalen-2-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C14H12O2/c15-14(11-5-6-11)16-13-8-7-10-3-1-2-4-12(10)9-13/h1-4,7-9,11H,5-6H2
InChIKeyUAAAZXARPPSLNV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.16
Rot. Bonds2

About naphthalen-2-yl cyclopropanecarboxylate

naphthalen-2-yl cyclopropanecarboxylate (PubChem CID 532295) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is naphthalen-2-yl cyclopropanecarboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl cyclopropanecarboxylate
PubChem CID532295
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Namenaphthalen-2-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C14H12O2/c15-14(11-5-6-11)16-13-8-7-10-3-1-2-4-12(10)9-13/h1-4,7-9,11H,5-6H2
InChIKeyUAAAZXARPPSLNV-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
trans-dinaphthalen-2-yl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 101049037
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
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
CID 58671942
(3-aminophenyl) cyclopropanecarboxylate
CID 175156666
naphthalen-2-yl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7926832
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
(5-fluoronaphthalen-2-yl) 4-[(E)-prop-1-enyl]cyclohexane-1-carboxylate
CID 139854635

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl cyclopropanecarboxylate?
The IUPAC name of naphthalen-2-yl cyclopropanecarboxylate (CID 532295) is naphthalen-2-yl cyclopropanecarboxylate.
What is the SMILES notation for naphthalen-2-yl cyclopropanecarboxylate?
The canonical SMILES for naphthalen-2-yl cyclopropanecarboxylate is O=C(Oc1ccc2ccccc2c1)C1CC1.
What is the InChIKey of naphthalen-2-yl cyclopropanecarboxylate?
The InChIKey is UAAAZXARPPSLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(11-5-6-11)16-13-8-7-10-3-1-2-4-12(10)9-13/h1-4,7-9,11H,5-6H2.
What are the key properties of naphthalen-2-yl cyclopropanecarboxylate?
naphthalen-2-yl cyclopropanecarboxylate has a molecular weight of 212.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl cyclopropanecarboxylate is sourced from PubChem (CID 532295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).