2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde

C16H16O2 — CID 12066885

IUPAC2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
SMILESCC[C@H](c1ccccc1)c1cccc(C=O)c1O
InChIInChI=1S/C16H16O2/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(11-17)16(15)18/h3-11,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyFNXWSFRUBBINCE-CQSZACIVSA-N
MW240.30 g/mol
LogP3.75
Rot. Bonds4

About 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde

2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde (PubChem CID 12066885) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
PubChem CID12066885
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
SMILESCC[C@H](c1ccccc1)c1cccc(C=O)c1O
InChIInChI=1S/C16H16O2/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(11-17)16(15)18/h3-11,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyFNXWSFRUBBINCE-CQSZACIVSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.75
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

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
oxalic acid;1-phenylpropylbenzene
CID 67824543
2,3-dihydroxybenzaldehyde
CID 159243971
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
CID 174744988
methyl 4-(3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171895459
4-(3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanenitrile
CID 171900834
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
3-acetyl-2-hydroxybenzaldehyde
CID 10975813

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde?
The IUPAC name of 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde (CID 12066885) is 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde is CC[C@H](c1ccccc1)c1cccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde?
The InChIKey is FNXWSFRUBBINCE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(11-17)16(15)18/h3-11,14,18H,2H2,1H3/t14-/m1/s1.
What are the key properties of 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde?
2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde is sourced from PubChem (CID 12066885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).