ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate

C17H17ClO4 — CID 91681694

IUPACethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO4/c1-3-21-17(19)13-6-9-15(20-2)16(10-13)22-11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3
InChIKeyKZXGPXRUTQWEFI-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.10
Rot. Bonds6

About ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate

ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate (PubChem CID 91681694) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
PubChem CID91681694
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Nameethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO4/c1-3-21-17(19)13-6-9-15(20-2)16(10-13)22-11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3
InChIKeyKZXGPXRUTQWEFI-UHFFFAOYSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methylbenzimidazole-5-carboxylate
CID 156583438
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903773
3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155530092
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 118408203
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate?
The IUPAC name of ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate (CID 91681694) is ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate?
The canonical SMILES for ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate is CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate?
The InChIKey is KZXGPXRUTQWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-3-21-17(19)13-6-9-15(20-2)16(10-13)22-11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate?
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate has a molecular weight of 320.77 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 91681694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).