(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate

C20H18O4 — CID 16578220

IUPAC(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C20H18O4/c1-22-17-9-7-14(8-10-17)13-24-20(21)18-11-15-5-3-4-6-16(15)12-19(18)23-2/h3-12H,13H2,1-2H3
InChIKeyDDCXFEAROJPNDS-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.21
Rot. Bonds5

About (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate

(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate (PubChem CID 16578220) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
PubChem CID16578220
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C20H18O4/c1-22-17-9-7-14(8-10-17)13-24-20(21)18-11-15-5-3-4-6-16(15)12-19(18)23-2/h3-12H,13H2,1-2H3
InChIKeyDDCXFEAROJPNDS-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
2-(4-bromophenoxy)ethyl 3-methoxynaphthalene-2-carboxylate
CID 2416862
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
CID 58984680
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate (CID 16578220) is (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate is COc1ccc(COC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
The InChIKey is DDCXFEAROJPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-17-9-7-14(8-10-17)13-24-20(21)18-11-15-5-3-4-6-16(15)12-19(18)23-2/h3-12H,13H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate?
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 16578220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).