(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate

C16H16O2 — CID 54012844

IUPAC(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate
SMILESCc1ccc2cc(COC(=O)C3CC3)ccc2c1
InChIInChI=1S/C16H16O2/c1-11-2-4-15-9-12(3-5-14(15)8-11)10-18-16(17)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyKTOQXWBSNFLFQZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.60
Rot. Bonds3

About (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate

(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate (PubChem CID 54012844) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate
PubChem CID54012844
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate
SMILESCc1ccc2cc(COC(=O)C3CC3)ccc2c1
InChIInChI=1S/C16H16O2/c1-11-2-4-15-9-12(3-5-14(15)8-11)10-18-16(17)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyKTOQXWBSNFLFQZ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylphenyl)methyl cyclopropanecarboxylate
CID 137495375
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
ethyl cyclopropanecarboxylate;3-methylphenol
CID 144863890
(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate
CID 88671607
(3-methoxyphenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525224
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
CID 16869408
2-(butoxymethyl)-6-methylnaphthalene
CID 58718918
4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926287
3,3,3-trifluoro-2-[4-[(4-methylphenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid
CID 159248267
[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
CID 167208592

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate?
The IUPAC name of (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate (CID 54012844) is (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate.
What is the SMILES notation for (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate?
The canonical SMILES for (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate is Cc1ccc2cc(COC(=O)C3CC3)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate?
The InChIKey is KTOQXWBSNFLFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-2-4-15-9-12(3-5-14(15)8-11)10-18-16(17)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3.
What are the key properties of (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate?
(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate has a molecular weight of 240.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate is sourced from PubChem (CID 54012844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).