ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate

C18H20O4 — CID 91681650

IUPACethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2ccccc2C)c1
InChIInChI=1S/C18H20O4/c1-4-21-18(19)14-9-10-16(20-3)17(11-14)22-12-15-8-6-5-7-13(15)2/h5-11H,4,12H2,1-3H3
InChIKeyJQFHBGKYJHGDJI-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.76
Rot. Bonds6

About ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate

ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate (PubChem CID 91681650) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
PubChem CID91681650
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2ccccc2C)c1
InChIInChI=1S/C18H20O4/c1-4-21-18(19)14-9-10-16(20-3)17(11-14)22-12-15-8-6-5-7-13(15)2/h5-11H,4,12H2,1-3H3
InChIKeyJQFHBGKYJHGDJI-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
propyl 4-amino-3-[(2-methylphenyl)methoxy]benzoate
CID 82057509
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
prop-2-enyl 3-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91681906
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
(2-methylphenyl)methyl 4-ethoxy-3-nitrobenzoate
CID 9389545
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558646

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate (CID 91681650) is ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate is CCOC(=O)c1ccc(OC)c(OCc2ccccc2C)c1.
What is the InChIKey of ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate?
The InChIKey is JQFHBGKYJHGDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-4-21-18(19)14-9-10-16(20-3)17(11-14)22-12-15-8-6-5-7-13(15)2/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate?
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate has a molecular weight of 300.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 91681650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).