4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid

C11H14O5 — CID 117325025

IUPAC4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
SMILESCOc1cc(O)c(CCCO)cc1C(=O)O
InChIInChI=1S/C11H14O5/c1-16-10-6-9(13)7(3-2-4-12)5-8(10)11(14)15/h5-6,12-13H,2-4H2,1H3,(H,14,15)
InChIKeyDOYWUKZZJDRKIB-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.02
Rot. Bonds5

About 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid

4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid (PubChem CID 117325025) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
PubChem CID117325025
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
SMILESCOc1cc(O)c(CCCO)cc1C(=O)O
InChIInChI=1S/C11H14O5/c1-16-10-6-9(13)7(3-2-4-12)5-8(10)11(14)15/h5-6,12-13H,2-4H2,1H3,(H,14,15)
InChIKeyDOYWUKZZJDRKIB-UHFFFAOYSA-N
XLogP1.02
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzoic acid
CID 117353068
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
5-bromo-4-(carboxymethyl)-2-methoxybenzoic acid
CID 67529429
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
5-(2-ethoxy-2-oxoacetyl)-2-hydroxy-4-methoxybenzoic acid
CID 117423954
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
5-(bromomethyl)-2-fluoro-4-methoxybenzoic acid
CID 171025252
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid?
The IUPAC name of 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid (CID 117325025) is 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid is COc1cc(O)c(CCCO)cc1C(=O)O.
What is the InChIKey of 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid?
The InChIKey is DOYWUKZZJDRKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-16-10-6-9(13)7(3-2-4-12)5-8(10)11(14)15/h5-6,12-13H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid?
4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid is sourced from PubChem (CID 117325025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).