methyl 6-cyclopropylnaphthalene-2-carboxylate

C15H14O2 — CID 54752886

IUPACmethyl 6-cyclopropylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C3CC3)ccc2c1
InChIInChI=1S/C15H14O2/c1-17-15(16)14-7-6-12-8-11(10-2-3-10)4-5-13(12)9-14/h4-10H,2-3H2,1H3
InChIKeyQYNRWWPRMIHYOS-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.50
Rot. Bonds2

About methyl 6-cyclopropylnaphthalene-2-carboxylate

methyl 6-cyclopropylnaphthalene-2-carboxylate (PubChem CID 54752886) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 6-cyclopropylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropylnaphthalene-2-carboxylate
PubChem CID54752886
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Namemethyl 6-cyclopropylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C3CC3)ccc2c1
InChIInChI=1S/C15H14O2/c1-17-15(16)14-7-6-12-8-11(10-2-3-10)4-5-13(12)9-14/h4-10H,2-3H2,1H3
InChIKeyQYNRWWPRMIHYOS-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712
ethane;methyl naphthalene-2-carboxylate
CID 143895262
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 3-cyclohexylbenzoate
CID 67160762
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate
CID 156776197
ethane;methyl 5-cyclopropyl-1-benzothiophene-2-carboxylate
CID 145106584
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
CID 67159282
methyl 4-(4,4-dimethylcyclohexyl)-2-methylbenzoate
CID 154726562

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropylnaphthalene-2-carboxylate?
The IUPAC name of methyl 6-cyclopropylnaphthalene-2-carboxylate (CID 54752886) is methyl 6-cyclopropylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-cyclopropylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-cyclopropylnaphthalene-2-carboxylate is COC(=O)c1ccc2cc(C3CC3)ccc2c1.
What is the InChIKey of methyl 6-cyclopropylnaphthalene-2-carboxylate?
The InChIKey is QYNRWWPRMIHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-17-15(16)14-7-6-12-8-11(10-2-3-10)4-5-13(12)9-14/h4-10H,2-3H2,1H3.
What are the key properties of methyl 6-cyclopropylnaphthalene-2-carboxylate?
methyl 6-cyclopropylnaphthalene-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropylnaphthalene-2-carboxylate is sourced from PubChem (CID 54752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).