benzoic acid;4-hydroxy-3-methoxybenzoic acid

C15H14O6 — CID 159798679

IUPACbenzoic acid;4-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C8H8O4.C7H6O2/c1-12-7-4-5(8(10)11)2-3-6(7)9;8-7(9)6-4-2-1-3-5-6/h2-4,9H,1H3,(H,10,11);1-5H,(H,8,9)
InChIKeyNJMQJEWJEZHLNK-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.48
Rot. Bonds3

About benzoic acid;4-hydroxy-3-methoxybenzoic acid

benzoic acid;4-hydroxy-3-methoxybenzoic acid (PubChem CID 159798679) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is benzoic acid;4-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Namebenzoic acid;4-hydroxy-3-methoxybenzoic acid
PubChem CID159798679
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namebenzoic acid;4-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C8H8O4.C7H6O2/c1-12-7-4-5(8(10)11)2-3-6(7)9;8-7(9)6-4-2-1-3-5-6/h2-4,9H,1H3,(H,10,11);1-5H,(H,8,9)
InChIKeyNJMQJEWJEZHLNK-UHFFFAOYSA-N
XLogP2.48
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
CID 139199481
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
3-hydroxy-4-methoxybenzoic acid
CID 12575
cyclohexane-1,3-diol;bis(4-hydroxy-3-methoxybenzoic acid)
CID 67408860
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168

Frequently Asked Questions

What is the IUPAC name of benzoic acid;4-hydroxy-3-methoxybenzoic acid?
The IUPAC name of benzoic acid;4-hydroxy-3-methoxybenzoic acid (CID 159798679) is benzoic acid;4-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for benzoic acid;4-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for benzoic acid;4-hydroxy-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;4-hydroxy-3-methoxybenzoic acid?
The InChIKey is NJMQJEWJEZHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.C7H6O2/c1-12-7-4-5(8(10)11)2-3-6(7)9;8-7(9)6-4-2-1-3-5-6/h2-4,9H,1H3,(H,10,11);1-5H,(H,8,9).
What are the key properties of benzoic acid;4-hydroxy-3-methoxybenzoic acid?
benzoic acid;4-hydroxy-3-methoxybenzoic acid has a molecular weight of 290.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;4-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 159798679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).