(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate

C20H18O3 — CID 7766882

IUPAC(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCc1ccccc1C
InChIInChI=1S/C20H18O3/c1-14-7-3-4-10-17(14)13-23-20(21)18-11-15-8-5-6-9-16(15)12-19(18)22-2/h3-12H,13H2,1-2H3
InChIKeyNNXIUZPEVMSEGK-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.51
Rot. Bonds4

About (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate

(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate (PubChem CID 7766882) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
PubChem CID7766882
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCc1ccccc1C
InChIInChI=1S/C20H18O3/c1-14-7-3-4-10-17(14)13-23-20(21)18-11-15-8-5-6-9-16(15)12-19(18)22-2/h3-12H,13H2,1-2H3
InChIKeyNNXIUZPEVMSEGK-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
CID 92679628
ethane;(2-methylphenyl)methyl acetate
CID 143177732
CID 101146176
CID 101146176
(2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297939
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate (CID 7766882) is (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCc1ccccc1C.
What is the InChIKey of (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The InChIKey is NNXIUZPEVMSEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-14-7-3-4-10-17(14)13-23-20(21)18-11-15-8-5-6-9-16(15)12-19(18)22-2/h3-12H,13H2,1-2H3.
What are the key properties of (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 7766882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).