4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride

C9H11ClO5 — CID 162316978

IUPAC4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(C(=O)O)cc(OC)c1O.Cl
InChIInChI=1S/C9H10O5.ClH/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10;/h3-4,10H,1-2H3,(H,11,12);1H
InChIKeyBEVUGBPZPLXKCP-UHFFFAOYSA-N
MW234.63 g/mol
LogP1.53
Rot. Bonds3

About 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride

4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride (PubChem CID 162316978) has the molecular formula C9H11ClO5 and a molecular weight of 234.63 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
PubChem CID162316978
Molecular FormulaC9H11ClO5
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(C(=O)O)cc(OC)c1O.Cl
InChIInChI=1S/C9H10O5.ClH/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10;/h3-4,10H,1-2H3,(H,11,12);1H
InChIKeyBEVUGBPZPLXKCP-UHFFFAOYSA-N
XLogP1.53
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-4-hydroxy-5-methoxybenzoic acid
CID 163051387
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
CID 83950774
3-(2-amino-1-carboxyethyl)-4-hydroxy-5-methoxybenzoic acid
CID 117390534
3,4-dibromo-5-methoxybenzoic acid
CID 171002426
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
CID 82039120
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
4-amino-3-methoxy-5-sulfanylbenzoic acid
CID 23091979

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride?
The IUPAC name of 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride (CID 162316978) is 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride?
The canonical SMILES for 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride is COc1cc(C(=O)O)cc(OC)c1O.Cl.
What is the InChIKey of 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride?
The InChIKey is BEVUGBPZPLXKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5.ClH/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10;/h3-4,10H,1-2H3,(H,11,12);1H.
What are the key properties of 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride?
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride has a molecular weight of 234.63 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride is sourced from PubChem (CID 162316978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).