ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate

C19H22O4 — CID 118408203

IUPACethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(C(C)C)cc2)c(O)c1
InChIInChI=1S/C19H22O4/c1-4-22-19(21)16-9-10-18(17(20)11-16)23-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyVFJICWWEHHXOSN-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.27
Rot. Bonds6

About ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate

ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate (PubChem CID 118408203) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
PubChem CID118408203
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(C(C)C)cc2)c(O)c1
InChIInChI=1S/C19H22O4/c1-4-22-19(21)16-9-10-18(17(20)11-16)23-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyVFJICWWEHHXOSN-UHFFFAOYSA-N
XLogP4.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568
2-(4-ethoxycarbonyl-2-hydroxyphenoxy)ethyl-trimethylazanium
CID 23160704
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
CID 67691309
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3,4-bis(1-methoxyethoxy)benzoate
CID 68655330

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The IUPAC name of ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate (CID 118408203) is ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2ccc(C(C)C)cc2)c(O)c1.
What is the InChIKey of ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The InChIKey is VFJICWWEHHXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-22-19(21)16-9-10-18(17(20)11-16)23-12-14-5-7-15(8-6-14)13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate has a molecular weight of 314.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate is sourced from PubChem (CID 118408203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).