2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde

C17H18O2 — CID 174744988

IUPAC2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
SMILESCC(C)(O)C(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C17H18O2/c1-17(2,19)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-18/h3-12,16,19H,1-2H3
InChIKeyCZHQICDZWPFQNP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.40
Rot. Bonds4

About 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde

2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde (PubChem CID 174744988) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
PubChem CID174744988
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
SMILESCC(C)(O)C(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C17H18O2/c1-17(2,19)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-18/h3-12,16,19H,1-2H3
InChIKeyCZHQICDZWPFQNP-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885
2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
2-(dibromomethyl)benzaldehyde
CID 15212101
2-benzhydryl-2-(2-formylanilino)propanedioic acid
CID 87094067
CID 22339060
CID 22339060
3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
CID 143671323
2-(1-morpholin-4-ylethyl)benzaldehyde
CID 105474307
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde?
The IUPAC name of 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde (CID 174744988) is 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde.
What is the SMILES notation for 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde?
The canonical SMILES for 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde is CC(C)(O)C(c1ccccc1)c1ccccc1C=O.
What is the InChIKey of 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde?
The InChIKey is CZHQICDZWPFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,19)16(13-8-4-3-5-9-13)15-11-7-6-10-14(15)12-18/h3-12,16,19H,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde?
2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde is sourced from PubChem (CID 174744988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).