3-hydroxy-4-methoxybenzoic acid;molecular hydrogen

C8H10O4 — CID 50930804

IUPAC3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
SMILESCOc1ccc(C(=O)O)cc1O.[H][H]
InChIInChI=1S/C8H8O4.H2/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3,(H,10,11);1H
InChIKeyDAQRQUDOTTVMKO-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.35
Rot. Bonds2

About 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen

3-hydroxy-4-methoxybenzoic acid;molecular hydrogen (PubChem CID 50930804) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen.

Molecular Properties

Compound Name3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
PubChem CID50930804
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
SMILESCOc1ccc(C(=O)O)cc1O.[H][H]
InChIInChI=1S/C8H8O4.H2/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3,(H,10,11);1H
InChIKeyDAQRQUDOTTVMKO-UHFFFAOYSA-N
XLogP1.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methoxybenzoic acid
CID 12575
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
3-borono-4-methoxybenzoic acid
CID 42614541
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 79725836
3-hydroxy-4-(2-methylprop-2-enoyloxy)benzoic acid
CID 139746465
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen?
The IUPAC name of 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen (CID 50930804) is 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen.
What is the SMILES notation for 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen?
The canonical SMILES for 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen is COc1ccc(C(=O)O)cc1O.[H][H].
What is the InChIKey of 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen?
The InChIKey is DAQRQUDOTTVMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.H2/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3,(H,10,11);1H.
What are the key properties of 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen?
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen has a molecular weight of 170.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxybenzoic acid;molecular hydrogen is sourced from PubChem (CID 50930804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).