(3R)-3-phenylbutanal

C10H12O — CID 10877278

IUPAC(3R)-3-phenylbutanal
SMILESC[C@H](CC=O)c1ccccc1
InChIInChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1
InChIKeyMYHGOWDLVRDUFA-SECBINFHSA-N
MW148.20 g/mol
LogP2.38
Rot. Bonds3

About (3R)-3-phenylbutanal

(3R)-3-phenylbutanal (PubChem CID 10877278) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (3R)-3-phenylbutanal.

Molecular Properties

Compound Name(3R)-3-phenylbutanal
PubChem CID10877278
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(3R)-3-phenylbutanal
SMILESC[C@H](CC=O)c1ccccc1
InChIInChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1
InChIKeyMYHGOWDLVRDUFA-SECBINFHSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.38
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

aniline;ethane;3-phenylbutanal
CID 172564179
3-(4-iodophenyl)butanal
CID 101197273
3-(4-aminophenyl)butanal
CID 143206837
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
3,4-diphenylpentanal
CID 102432987
3-pyridin-3-ylbutanal
CID 12727117
3-(4-oxobutan-2-yl)benzaldehyde
CID 174605673
3-[2-(difluoromethyl)phenyl]butanal
CID 117287781
(3R)-3-phenylpentanal
CID 12598589
(3R)-3-amino-3-phenylpropanal
CID 142843115
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
3-[4-(diethylamino)phenyl]butanal
CID 117313265

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylbutanal?
The IUPAC name of (3R)-3-phenylbutanal (CID 10877278) is (3R)-3-phenylbutanal.
What is the SMILES notation for (3R)-3-phenylbutanal?
The canonical SMILES for (3R)-3-phenylbutanal is C[C@H](CC=O)c1ccccc1.
What is the InChIKey of (3R)-3-phenylbutanal?
The InChIKey is MYHGOWDLVRDUFA-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-phenylbutanal?
(3R)-3-phenylbutanal has a molecular weight of 148.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylbutanal is sourced from PubChem (CID 10877278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).