5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde

C11H12O2 — CID 129178282

IUPAC5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
SMILESCc1cc(C2CC2)cc(C=O)c1O
InChIInChI=1S/C11H12O2/c1-7-4-9(8-2-3-8)5-10(6-12)11(7)13/h4-6,8,13H,2-3H2,1H3
InChIKeyLDVKPWCQDIIGCM-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.39
Rot. Bonds2

About 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde

5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde (PubChem CID 129178282) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
PubChem CID129178282
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
SMILESCc1cc(C2CC2)cc(C=O)c1O
InChIInChI=1S/C11H12O2/c1-7-4-9(8-2-3-8)5-10(6-12)11(7)13/h4-6,8,13H,2-3H2,1H3
InChIKeyLDVKPWCQDIIGCM-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.39
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 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde (CID 129178282) is 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde is Cc1cc(C2CC2)cc(C=O)c1O.
What is the InChIKey of 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde?
The InChIKey is LDVKPWCQDIIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-4-9(8-2-3-8)5-10(6-12)11(7)13/h4-6,8,13H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde?
5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde has a molecular weight of 176.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 129178282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).