methyl 2-(2-methylpropyl)naphthalene-1-carboxylate

C16H18O2 — CID 141020633

IUPACmethyl 2-(2-methylpropyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(CC(C)C)ccc2ccccc12
InChIInChI=1S/C16H18O2/c1-11(2)10-13-9-8-12-6-4-5-7-14(12)15(13)16(17)18-3/h4-9,11H,10H2,1-3H3
InChIKeySRLCFKWWIRHILJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.82
Rot. Bonds3

About methyl 2-(2-methylpropyl)naphthalene-1-carboxylate

methyl 2-(2-methylpropyl)naphthalene-1-carboxylate (PubChem CID 141020633) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-(2-methylpropyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropyl)naphthalene-1-carboxylate
PubChem CID141020633
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-(2-methylpropyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(CC(C)C)ccc2ccccc12
InChIInChI=1S/C16H18O2/c1-11(2)10-13-9-8-12-6-4-5-7-14(12)15(13)16(17)18-3/h4-9,11H,10H2,1-3H3
InChIKeySRLCFKWWIRHILJ-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
methyl 2-(12-methyltridecoxy)naphthalene-1-carboxylate
CID 118870340
dimethyl picene-13,14-dicarboxylate
CID 101053496
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
methyl 2-tridecan-2-yloxynaphthalene-1-carboxylate
CID 118870402
methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate
CID 10759860
methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
CID 680481
methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
CID 102438824
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
CID 66640173

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropyl)naphthalene-1-carboxylate?
The IUPAC name of methyl 2-(2-methylpropyl)naphthalene-1-carboxylate (CID 141020633) is methyl 2-(2-methylpropyl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methylpropyl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 2-(2-methylpropyl)naphthalene-1-carboxylate is COC(=O)c1c(CC(C)C)ccc2ccccc12.
What is the InChIKey of methyl 2-(2-methylpropyl)naphthalene-1-carboxylate?
The InChIKey is SRLCFKWWIRHILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(2)10-13-9-8-12-6-4-5-7-14(12)15(13)16(17)18-3/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropyl)naphthalene-1-carboxylate?
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropyl)naphthalene-1-carboxylate is sourced from PubChem (CID 141020633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).