(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal

C14H14O — CID 101420954

IUPAC(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
SMILESO=CC[C@H](C1=CC=CC1)c1ccccc1
InChIInChI=1S/C14H14O/c15-11-10-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-8,11,14H,9-10H2/t14-/m0/s1
InChIKeyNITHPIMMNACRRW-AWEZNQCLSA-N
MW198.27 g/mol
LogP3.25
Rot. Bonds4

About (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal

(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal (PubChem CID 101420954) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal.

Molecular Properties

Compound Name(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
PubChem CID101420954
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
SMILESO=CC[C@H](C1=CC=CC1)c1ccccc1
InChIInChI=1S/C14H14O/c15-11-10-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-8,11,14H,9-10H2/t14-/m0/s1
InChIKeyNITHPIMMNACRRW-AWEZNQCLSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.25
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

1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
(3R)-3-phenylpentanal
CID 12598589
(3R)-3-phenylbutanal
CID 10877278
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
(E,3R)-3-phenylhept-5-enal
CID 102328928
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(3R)-3-amino-3-phenylpropanal
CID 142843115
3-phenylheptanal
CID 10954355
3-(3-chlorophenyl)-3-phenylpropanal
CID 19076021
(3S)-3-phenylhex-5-enal
CID 11229081
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal?
The IUPAC name of (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal (CID 101420954) is (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal.
What is the SMILES notation for (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal?
The canonical SMILES for (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal is O=CC[C@H](C1=CC=CC1)c1ccccc1.
What is the InChIKey of (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal?
The InChIKey is NITHPIMMNACRRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14O/c15-11-10-14(13-8-4-5-9-13)12-6-2-1-3-7-12/h1-8,11,14H,9-10H2/t14-/m0/s1.
What are the key properties of (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal?
(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal has a molecular weight of 198.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal is sourced from PubChem (CID 101420954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).