6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde

C15H14O2 — CID 45097937

IUPAC6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
SMILESCc1cc(O)c(C=O)c(C)c1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-10-8-14(17)13(9-16)11(2)15(10)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyMPTGGNYGMFGBCI-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.49
Rot. Bonds2

About 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde

6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde (PubChem CID 45097937) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde.

Molecular Properties

Compound Name6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
PubChem CID45097937
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
SMILESCc1cc(O)c(C=O)c(C)c1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-10-8-14(17)13(9-16)11(2)15(10)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyMPTGGNYGMFGBCI-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde?
The IUPAC name of 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde (CID 45097937) is 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde.
What is the SMILES notation for 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde?
The canonical SMILES for 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde is Cc1cc(O)c(C=O)c(C)c1-c1ccccc1.
What is the InChIKey of 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde?
The InChIKey is MPTGGNYGMFGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-8-14(17)13(9-16)11(2)15(10)12-6-4-3-5-7-12/h3-9,17H,1-2H3.
What are the key properties of 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde?
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde is sourced from PubChem (CID 45097937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).