methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate

C17H18O2 — CID 116963948

IUPACmethyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3cc(C)ccc3c2)CCC1
InChIInChI=1S/C17H18O2/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(8-3-9-17)16(18)19-2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyLYVGGVJWCDRNST-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds2

About methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate

methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate (PubChem CID 116963948) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
PubChem CID116963948
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namemethyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3cc(C)ccc3c2)CCC1
InChIInChI=1S/C17H18O2/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(8-3-9-17)16(18)19-2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyLYVGGVJWCDRNST-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
N'-methyl-1-(6-methylnaphthalen-2-yl)cyclopropane-1-carbohydrazide
CID 116847390
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
methyl 1-(4-bromo-3-fluorophenyl)cyclobutane-1-carboxylate
CID 116989068
methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
methyl 1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963848
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate (CID 116963948) is methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate is COC(=O)C1(c2ccc3cc(C)ccc3c2)CCC1.
What is the InChIKey of methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate?
The InChIKey is LYVGGVJWCDRNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(8-3-9-17)16(18)19-2/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate?
methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 116963948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).