4-hydroxy-2,3,6-trimethylbenzaldehyde

C10H12O2 — CID 11309702

IUPAC4-hydroxy-2,3,6-trimethylbenzaldehyde
SMILESCc1cc(O)c(C)c(C)c1C=O
InChIInChI=1S/C10H12O2/c1-6-4-10(12)8(3)7(2)9(6)5-11/h4-5,12H,1-3H3
InChIKeyJDNVQFCVWBDQPE-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.13
Rot. Bonds1

About 4-hydroxy-2,3,6-trimethylbenzaldehyde

4-hydroxy-2,3,6-trimethylbenzaldehyde (PubChem CID 11309702) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-hydroxy-2,3,6-trimethylbenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2,3,6-trimethylbenzaldehyde
PubChem CID11309702
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-hydroxy-2,3,6-trimethylbenzaldehyde
SMILESCc1cc(O)c(C)c(C)c1C=O
InChIInChI=1S/C10H12O2/c1-6-4-10(12)8(3)7(2)9(6)5-11/h4-5,12H,1-3H3
InChIKeyJDNVQFCVWBDQPE-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,6-trimethylbenzaldehyde?
The IUPAC name of 4-hydroxy-2,3,6-trimethylbenzaldehyde (CID 11309702) is 4-hydroxy-2,3,6-trimethylbenzaldehyde.
What is the SMILES notation for 4-hydroxy-2,3,6-trimethylbenzaldehyde?
The canonical SMILES for 4-hydroxy-2,3,6-trimethylbenzaldehyde is Cc1cc(O)c(C)c(C)c1C=O.
What is the InChIKey of 4-hydroxy-2,3,6-trimethylbenzaldehyde?
The InChIKey is JDNVQFCVWBDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-4-10(12)8(3)7(2)9(6)5-11/h4-5,12H,1-3H3.
What are the key properties of 4-hydroxy-2,3,6-trimethylbenzaldehyde?
4-hydroxy-2,3,6-trimethylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,6-trimethylbenzaldehyde is sourced from PubChem (CID 11309702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).