3,4-dimethoxybenzoic acid;methanol

C10H14O5 — CID 144580050

IUPAC3,4-dimethoxybenzoic acid;methanol
SMILESCO.COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C9H10O4.CH4O/c1-12-7-4-3-6(9(10)11)5-8(7)13-2;1-2/h3-5H,1-2H3,(H,10,11);2H,1H3
InChIKeyPOYFVXDTQNBAJV-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.01
Rot. Bonds3

About 3,4-dimethoxybenzoic acid;methanol

3,4-dimethoxybenzoic acid;methanol (PubChem CID 144580050) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3,4-dimethoxybenzoic acid;methanol.

Molecular Properties

Compound Name3,4-dimethoxybenzoic acid;methanol
PubChem CID144580050
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3,4-dimethoxybenzoic acid;methanol
SMILESCO.COc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C9H10O4.CH4O/c1-12-7-4-3-6(9(10)11)5-8(7)13-2;1-2/h3-5H,1-2H3,(H,10,11);2H,1H3
InChIKeyPOYFVXDTQNBAJV-UHFFFAOYSA-N
XLogP1.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
3-borono-4-methoxybenzoic acid
CID 42614541
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzoic acid;methanol?
The IUPAC name of 3,4-dimethoxybenzoic acid;methanol (CID 144580050) is 3,4-dimethoxybenzoic acid;methanol.
What is the SMILES notation for 3,4-dimethoxybenzoic acid;methanol?
The canonical SMILES for 3,4-dimethoxybenzoic acid;methanol is CO.COc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 3,4-dimethoxybenzoic acid;methanol?
The InChIKey is POYFVXDTQNBAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.CH4O/c1-12-7-4-3-6(9(10)11)5-8(7)13-2;1-2/h3-5H,1-2H3,(H,10,11);2H,1H3.
What are the key properties of 3,4-dimethoxybenzoic acid;methanol?
3,4-dimethoxybenzoic acid;methanol has a molecular weight of 214.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzoic acid;methanol is sourced from PubChem (CID 144580050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).