2-hydroxy-5-methylbenzaldehyde;3-methylphenol

C15H16O3 — CID 87684857

IUPAC2-hydroxy-5-methylbenzaldehyde;3-methylphenol
SMILESCc1ccc(O)c(C=O)c1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O2.C7H8O/c1-6-2-3-8(10)7(4-6)5-9;1-6-3-2-4-7(8)5-6/h2-5,10H,1H3;2-5,8H,1H3
InChIKeyPROMUFJOPSQZBT-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.21
Rot. Bonds1

About 2-hydroxy-5-methylbenzaldehyde;3-methylphenol

2-hydroxy-5-methylbenzaldehyde;3-methylphenol (PubChem CID 87684857) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-hydroxy-5-methylbenzaldehyde;3-methylphenol.

Molecular Properties

Compound Name2-hydroxy-5-methylbenzaldehyde;3-methylphenol
PubChem CID87684857
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-hydroxy-5-methylbenzaldehyde;3-methylphenol
SMILESCc1ccc(O)c(C=O)c1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O2.C7H8O/c1-6-2-3-8(10)7(4-6)5-9;1-6-3-2-4-7(8)5-6/h2-5,10H,1H3;2-5,8H,1H3
InChIKeyPROMUFJOPSQZBT-UHFFFAOYSA-N
XLogP3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
3-methylphenol
CID 67925627
sodium 3-methylphenol
CID 21278687
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
carbanide;3-methylphenol;yttrium
CID 161376652
3-methylphenol;sulfuric acid
CID 70180616
bis(4-methylaniline);3-methylphenol
CID 144604707
3-methylphenol;4-methylphenol;propane
CID 157147188
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
4-methylbenzoic acid;3-methylphenol
CID 159152247
formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
CID 170853044
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylbenzaldehyde;3-methylphenol?
The IUPAC name of 2-hydroxy-5-methylbenzaldehyde;3-methylphenol (CID 87684857) is 2-hydroxy-5-methylbenzaldehyde;3-methylphenol.
What is the SMILES notation for 2-hydroxy-5-methylbenzaldehyde;3-methylphenol?
The canonical SMILES for 2-hydroxy-5-methylbenzaldehyde;3-methylphenol is Cc1ccc(O)c(C=O)c1.Cc1cccc(O)c1.
What is the InChIKey of 2-hydroxy-5-methylbenzaldehyde;3-methylphenol?
The InChIKey is PROMUFJOPSQZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H8O/c1-6-2-3-8(10)7(4-6)5-9;1-6-3-2-4-7(8)5-6/h2-5,10H,1H3;2-5,8H,1H3.
What are the key properties of 2-hydroxy-5-methylbenzaldehyde;3-methylphenol?
2-hydroxy-5-methylbenzaldehyde;3-methylphenol has a molecular weight of 244.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylbenzaldehyde;3-methylphenol is sourced from PubChem (CID 87684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).