ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate

C17H18O3 — CID 138971712

IUPACethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-17(19)15-10-8-14(9-11-15)16(18)13-6-4-12(2)5-7-13/h4-11,16,18H,3H2,1-2H3
InChIKeyRUXLGEHOPQEFMF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.25
Rot. Bonds4

About ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate

ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate (PubChem CID 138971712) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
PubChem CID138971712
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-17(19)15-10-8-14(9-11-15)16(18)13-6-4-12(2)5-7-13/h4-11,16,18H,3H2,1-2H3
InChIKeyRUXLGEHOPQEFMF-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-(1-hydroxybutyl)benzoate
CID 67981039
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[(1S)-1-amino-2,2-dimethylpropyl]benzoate
CID 58417508
ethyl 4-(1-amino-2,2-dimethylpropyl)benzoate
CID 58417255
ethyl 4-(1-bromopropyl)benzoate
CID 145000592
ethyl 4-(1,2-dihydroxy-3-sulfanylpropyl)benzoate
CID 170821025
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate?
The IUPAC name of ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate (CID 138971712) is ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate.
What is the SMILES notation for ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate?
The canonical SMILES for ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate is CCOC(=O)c1ccc(C(O)c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate?
The InChIKey is RUXLGEHOPQEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-20-17(19)15-10-8-14(9-11-15)16(18)13-6-4-12(2)5-7-13/h4-11,16,18H,3H2,1-2H3.
What are the key properties of ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate?
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate is sourced from PubChem (CID 138971712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).