(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate

C18H18O6 — CID 59169198

IUPAC(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1
InChIInChI=1S/C18H18O6/c1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3/h5-11H,4H2,1-3H3
InChIKeyWTILNLDTHGPAAO-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.10
Rot. Bonds6

About (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate

(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate (PubChem CID 59169198) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
PubChem CID59169198
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1
InChIInChI=1S/C18H18O6/c1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3/h5-11H,4H2,1-3H3
InChIKeyWTILNLDTHGPAAO-UHFFFAOYSA-N
XLogP3.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxyphenyl) 2-[12-[4-[4-(4-ethoxyphenoxy)carbonylbenzoyl]oxyphenoxy]dodecoxy]benzene-1,4-dicarboxylate
CID 101087849
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
[4-[4-(methylamino)phenoxy]carbonylphenyl] 2-methoxy-4-(3-methylbutoxy)benzoate
CID 59030055
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
1-O-(4-methoxyphenyl) 4-O-(4-methylperoxyphenyl) 2-methoxybenzene-1,4-dicarboxylate
CID 134322443
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(4-acetylphenyl) 3-ethoxy-4-methoxybenzoate
CID 8764026

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate (CID 59169198) is (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate?
The InChIKey is WTILNLDTHGPAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3/h5-11H,4H2,1-3H3.
What are the key properties of (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate?
(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate has a molecular weight of 330.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate is sourced from PubChem (CID 59169198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).