3-hydroxy-2-methylbenzaldehyde;phenol

C14H14O3 — CID 87138330

IUPAC3-hydroxy-2-methylbenzaldehyde;phenol
SMILESCc1c(O)cccc1C=O.Oc1ccccc1
InChIInChI=1S/C8H8O2.C6H6O/c1-6-7(5-9)3-2-4-8(6)10;7-6-4-2-1-3-5-6/h2-5,10H,1H3;1-5,7H
InChIKeyYZYBFQZZOJRMSH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.91
Rot. Bonds1

About 3-hydroxy-2-methylbenzaldehyde;phenol

3-hydroxy-2-methylbenzaldehyde;phenol (PubChem CID 87138330) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-2-methylbenzaldehyde;phenol.

Molecular Properties

Compound Name3-hydroxy-2-methylbenzaldehyde;phenol
PubChem CID87138330
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-hydroxy-2-methylbenzaldehyde;phenol
SMILESCc1c(O)cccc1C=O.Oc1ccccc1
InChIInChI=1S/C8H8O2.C6H6O/c1-6-7(5-9)3-2-4-8(6)10;7-6-4-2-1-3-5-6/h2-5,10H,1H3;1-5,7H
InChIKeyYZYBFQZZOJRMSH-UHFFFAOYSA-N
XLogP2.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylbenzaldehyde;phenol?
The IUPAC name of 3-hydroxy-2-methylbenzaldehyde;phenol (CID 87138330) is 3-hydroxy-2-methylbenzaldehyde;phenol.
What is the SMILES notation for 3-hydroxy-2-methylbenzaldehyde;phenol?
The canonical SMILES for 3-hydroxy-2-methylbenzaldehyde;phenol is Cc1c(O)cccc1C=O.Oc1ccccc1.
What is the InChIKey of 3-hydroxy-2-methylbenzaldehyde;phenol?
The InChIKey is YZYBFQZZOJRMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H6O/c1-6-7(5-9)3-2-4-8(6)10;7-6-4-2-1-3-5-6/h2-5,10H,1H3;1-5,7H.
What are the key properties of 3-hydroxy-2-methylbenzaldehyde;phenol?
3-hydroxy-2-methylbenzaldehyde;phenol has a molecular weight of 230.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylbenzaldehyde;phenol is sourced from PubChem (CID 87138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).