(3R)-3-phenylpentanal

C11H14O — CID 12598589

IUPAC(3R)-3-phenylpentanal
SMILESCC[C@H](CC=O)c1ccccc1
InChIInChI=1S/C11H14O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3/t10-/m1/s1
InChIKeyVEUKSXBNXUPLKJ-SNVBAGLBSA-N
MW162.23 g/mol
LogP2.77
Rot. Bonds4

About (3R)-3-phenylpentanal

(3R)-3-phenylpentanal (PubChem CID 12598589) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (3R)-3-phenylpentanal.

Molecular Properties

Compound Name(3R)-3-phenylpentanal
PubChem CID12598589
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(3R)-3-phenylpentanal
SMILESCC[C@H](CC=O)c1ccccc1
InChIInChI=1S/C11H14O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3/t10-/m1/s1
InChIKeyVEUKSXBNXUPLKJ-SNVBAGLBSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-phenylhept-2-enal
CID 122379804
3-phenylheptanal
CID 10954355
(E,3R)-3-phenylhept-5-enal
CID 102328928
(3S)-3-phenylhex-5-enal
CID 11229081
5-phenylheptanal
CID 22053894
azane;pentan-3-ylbenzene
CID 19774895
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
N-[(2S)-2-phenylbutyl]formamide
CID 124705740
(3R)-3-phenylbutanal
CID 10877278
4-nitro-3-phenylbutanal
CID 75046041
pentan-3-ylbenzene;selenic acid
CID 175520254
3-phenyl-7-trimethylsilylhept-5-ynal
CID 10753719

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylpentanal?
The IUPAC name of (3R)-3-phenylpentanal (CID 12598589) is (3R)-3-phenylpentanal.
What is the SMILES notation for (3R)-3-phenylpentanal?
The canonical SMILES for (3R)-3-phenylpentanal is CC[C@H](CC=O)c1ccccc1.
What is the InChIKey of (3R)-3-phenylpentanal?
The InChIKey is VEUKSXBNXUPLKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-phenylpentanal?
(3R)-3-phenylpentanal has a molecular weight of 162.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylpentanal is sourced from PubChem (CID 12598589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).