(2R)-2-(3-phenoxyphenyl)propanal

C15H14O2 — CID 92977533

IUPAC(2R)-2-(3-phenoxyphenyl)propanal
SMILESC[C@@H](C=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-12H,1H3/t12-/m0/s1
InChIKeyNJRSTUGHBPTBSB-LBPRGKRZSA-N
MW226.28 g/mol
LogP3.78
Rot. Bonds4

About (2R)-2-(3-phenoxyphenyl)propanal

(2R)-2-(3-phenoxyphenyl)propanal (PubChem CID 92977533) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-2-(3-phenoxyphenyl)propanal.

Molecular Properties

Compound Name(2R)-2-(3-phenoxyphenyl)propanal
PubChem CID92977533
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2R)-2-(3-phenoxyphenyl)propanal
SMILESC[C@@H](C=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14O2/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-12H,1H3/t12-/m0/s1
InChIKeyNJRSTUGHBPTBSB-LBPRGKRZSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenoxyphenyl)ethanol
CID 12882419
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
2-(3-fluorophenyl)propanal
CID 20610109

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenoxyphenyl)propanal?
The IUPAC name of (2R)-2-(3-phenoxyphenyl)propanal (CID 92977533) is (2R)-2-(3-phenoxyphenyl)propanal.
What is the SMILES notation for (2R)-2-(3-phenoxyphenyl)propanal?
The canonical SMILES for (2R)-2-(3-phenoxyphenyl)propanal is C[C@@H](C=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-phenoxyphenyl)propanal?
The InChIKey is NJRSTUGHBPTBSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14O2/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-12H,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-(3-phenoxyphenyl)propanal?
(2R)-2-(3-phenoxyphenyl)propanal has a molecular weight of 226.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenoxyphenyl)propanal is sourced from PubChem (CID 92977533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).