methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate

C20H18O3 — CID 177480040

IUPACmethyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H18O3/c1-13-5-4-6-18(19(13)20(21)23-3)16-8-7-15-12-17(22-2)10-9-14(15)11-16/h4-12H,1-3H3
InChIKeyMSEUUDRHFVCMOK-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.61
Rot. Bonds3

About methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate

methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate (PubChem CID 177480040) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
PubChem CID177480040
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H18O3/c1-13-5-4-6-18(19(13)20(21)23-3)16-8-7-15-12-17(22-2)10-9-14(15)11-16/h4-12H,1-3H3
InChIKeyMSEUUDRHFVCMOK-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene
CID 57259225
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
ethyl 2-isoquinolin-7-yl-6-methylbenzoate
CID 23597517
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
CID 22634768
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate?
The IUPAC name of methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate (CID 177480040) is methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate.
What is the SMILES notation for methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate?
The canonical SMILES for methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate is COC(=O)c1c(C)cccc1-c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate?
The InChIKey is MSEUUDRHFVCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13-5-4-6-18(19(13)20(21)23-3)16-8-7-15-12-17(22-2)10-9-14(15)11-16/h4-12H,1-3H3.
What are the key properties of methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate?
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate has a molecular weight of 306.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate is sourced from PubChem (CID 177480040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).