benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde

C14H14O4 — CID 175246423

IUPACbenzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
SMILESCc1ccc(O)c(C=O)c1.Oc1ccccc1O
InChIInChI=1S/C8H8O2.C6H6O2/c1-6-2-3-8(10)7(4-6)5-9;7-5-3-1-2-4-6(5)8/h2-5,10H,1H3;1-4,7-8H
InChIKeyUSYKFTPTCYXVNX-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.61
Rot. Bonds1

About benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde

benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde (PubChem CID 175246423) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Namebenzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
PubChem CID175246423
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namebenzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
SMILESCc1ccc(O)c(C=O)c1.Oc1ccccc1O
InChIInChI=1S/C8H8O2.C6H6O2/c1-6-2-3-8(10)7(4-6)5-9;7-5-3-1-2-4-6(5)8/h2-5,10H,1H3;1-4,7-8H
InChIKeyUSYKFTPTCYXVNX-UHFFFAOYSA-N
XLogP2.61
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857
4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde
CID 136794282
bis[(2-hydroxy-5-methylphenyl)methylidene]titanium
CID 174378495
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2,5-dimethylbenzaldehyde;ethane
CID 142106726
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde?
The IUPAC name of benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde (CID 175246423) is benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde is Cc1ccc(O)c(C=O)c1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde?
The InChIKey is USYKFTPTCYXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H6O2/c1-6-2-3-8(10)7(4-6)5-9;7-5-3-1-2-4-6(5)8/h2-5,10H,1H3;1-4,7-8H.
What are the key properties of benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde?
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde has a molecular weight of 246.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 175246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).