2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde

C9H8O4 — CID 601986

IUPAC2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(O)c(C=O)c(O)c1C=O
InChIInChI=1S/C9H8O4/c1-5-2-8(12)7(4-11)9(13)6(5)3-10/h2-4,12-13H,1H3
InChIKeyURPZJXUEQPBEPM-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.03
Rot. Bonds2

About 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde

2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde (PubChem CID 601986) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
PubChem CID601986
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(O)c(C=O)c(O)c1C=O
InChIInChI=1S/C9H8O4/c1-5-2-8(12)7(4-11)9(13)6(5)3-10/h2-4,12-13H,1H3
InChIKeyURPZJXUEQPBEPM-UHFFFAOYSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
CID 71334263
4-hydroxy-2,3,6-trimethylbenzaldehyde
CID 11309702
3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
CID 84692353
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
4-ethyl-2-hydroxy-6-methylbenzaldehyde
CID 150151746
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
CID 135399133
4-(dimethylamino)-2,6-dihydroxybenzaldehyde
CID 90461716

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde (CID 601986) is 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde is Cc1cc(O)c(C=O)c(O)c1C=O.
What is the InChIKey of 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is URPZJXUEQPBEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c1-5-2-8(12)7(4-11)9(13)6(5)3-10/h2-4,12-13H,1H3.
What are the key properties of 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde?
2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 180.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 601986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).