ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate

C16H16O3 — CID 166940707

IUPACethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2O)c(C)c1
InChIInChI=1S/C16H16O3/c1-3-19-16(18)12-8-9-13(11(2)10-12)14-6-4-5-7-15(14)17/h4-10,17H,3H2,1-2H3
InChIKeyLAMYPYRWIWRYFD-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.54
Rot. Bonds3

About ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate

ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate (PubChem CID 166940707) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
PubChem CID166940707
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2O)c(C)c1
InChIInChI=1S/C16H16O3/c1-3-19-16(18)12-8-9-13(11(2)10-12)14-6-4-5-7-15(14)17/h4-10,17H,3H2,1-2H3
InChIKeyLAMYPYRWIWRYFD-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
diethyl benzene-1,3-dicarboxylate
CID 12491
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758
(4-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 74889503
4-ethoxycarbonyl-2-methylbenzenecarbothioic S-acid
CID 87277045
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate?
The IUPAC name of ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate (CID 166940707) is ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate.
What is the SMILES notation for ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate?
The canonical SMILES for ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate is CCOC(=O)c1ccc(-c2ccccc2O)c(C)c1.
What is the InChIKey of ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate?
The InChIKey is LAMYPYRWIWRYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-19-16(18)12-8-9-13(11(2)10-12)14-6-4-5-7-15(14)17/h4-10,17H,3H2,1-2H3.
What are the key properties of ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate?
ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate is sourced from PubChem (CID 166940707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).