methyl 4-hydroxybenzoate

C8H8O3 — CID 7456

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IUPACmethyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.18
Rot. Bonds1

About methyl 4-hydroxybenzoate

methyl 4-hydroxybenzoate (PubChem CID 7456) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxybenzoate
PubChem CID7456
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Namemethyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Propylparaben
CID 7175
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Ethylparaben
CID 8434
Veratric Acid
CID 7121
4'-Hydroxyacetophenone
CID 7469
Benzyl 4-Hydroxybenzoate
CID 7180
Ethyl Salicylate
CID 8365
Methyl Gallate
CID 7428
Heptyl p-hydroxybenzoate
CID 14138
Butyl salicylate
CID 16330

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybenzoate?
The IUPAC name of methyl 4-hydroxybenzoate (CID 7456) is methyl 4-hydroxybenzoate.
What is the SMILES notation for methyl 4-hydroxybenzoate?
The canonical SMILES for methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 4-hydroxybenzoate?
The InChIKey is LXCFILQKKLGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3.
What are the key properties of methyl 4-hydroxybenzoate?
methyl 4-hydroxybenzoate has a molecular weight of 152.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybenzoate is sourced from PubChem (CID 7456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).