4-hydroxybenzoic acid;methyl 4-hydroxybenzoate

C15H14O6 — CID 67377011

IUPAC4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H8O3.C7H6O3/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-3-1-5(2-4-6)7(9)10/h2-5,9H,1H3;1-4,8H,(H,9,10)
InChIKeyZHEQHAPVGOFDBR-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.27
Rot. Bonds2

About 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate

4-hydroxybenzoic acid;methyl 4-hydroxybenzoate (PubChem CID 67377011) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
PubChem CID67377011
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H8O3.C7H6O3/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-3-1-5(2-4-6)7(9)10/h2-5,9H,1H3;1-4,8H,(H,9,10)
InChIKeyZHEQHAPVGOFDBR-UHFFFAOYSA-N
XLogP2.27
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
CID 159177716
CID 159177716
methyl 4-hydroxybenzoate;3,4,5-trihydroxybenzoic acid
CID 166790822
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol;terephthalic acid
CID 174780069
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
4-hydroxy(11C)benzoic acid
CID 11275035
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate?
The IUPAC name of 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate (CID 67377011) is 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate.
What is the SMILES notation for 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate?
The canonical SMILES for 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate?
The InChIKey is ZHEQHAPVGOFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C7H6O3/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-3-1-5(2-4-6)7(9)10/h2-5,9H,1H3;1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate?
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate has a molecular weight of 290.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;methyl 4-hydroxybenzoate is sourced from PubChem (CID 67377011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).