5-phenoxy-3-phenylhex-5-enal

C18H18O2 — CID 101106031

IUPAC5-phenoxy-3-phenylhex-5-enal
SMILESC=C(CC(CC=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H18O2/c1-15(20-18-10-6-3-7-11-18)14-17(12-13-19)16-8-4-2-5-9-16/h2-11,13,17H,1,12,14H2
InChIKeyLAUKNJKRUSUOJB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.34
Rot. Bonds7

About 5-phenoxy-3-phenylhex-5-enal

5-phenoxy-3-phenylhex-5-enal (PubChem CID 101106031) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-phenoxy-3-phenylhex-5-enal.

Molecular Properties

Compound Name5-phenoxy-3-phenylhex-5-enal
PubChem CID101106031
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name5-phenoxy-3-phenylhex-5-enal
SMILESC=C(CC(CC=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H18O2/c1-15(20-18-10-6-3-7-11-18)14-17(12-13-19)16-8-4-2-5-9-16/h2-11,13,17H,1,12,14H2
InChIKeyLAUKNJKRUSUOJB-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-phenylhex-5-enal
CID 11229081
(3R)-3-phenylpentanal
CID 12598589
triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
CID 86212793
(E,3R)-3-phenylhept-5-enal
CID 102328928
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
3-phenylheptanal
CID 10954355
4-nitro-3-phenylbutanal
CID 75046041
4-oxo-4-phenoxy-2-phenylbutanoic acid
CID 70447338
(E,3R)-7-oxo-3,7-diphenylhept-5-enal
CID 134950944
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641
5-oxo-5-phenanthren-2-yl-3-phenylpentanal
CID 89077134
ethyl 3-phenylhex-5-enoate
CID 11481375

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-3-phenylhex-5-enal?
The IUPAC name of 5-phenoxy-3-phenylhex-5-enal (CID 101106031) is 5-phenoxy-3-phenylhex-5-enal.
What is the SMILES notation for 5-phenoxy-3-phenylhex-5-enal?
The canonical SMILES for 5-phenoxy-3-phenylhex-5-enal is C=C(CC(CC=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of 5-phenoxy-3-phenylhex-5-enal?
The InChIKey is LAUKNJKRUSUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-15(20-18-10-6-3-7-11-18)14-17(12-13-19)16-8-4-2-5-9-16/h2-11,13,17H,1,12,14H2.
What are the key properties of 5-phenoxy-3-phenylhex-5-enal?
5-phenoxy-3-phenylhex-5-enal has a molecular weight of 266.34 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-3-phenylhex-5-enal is sourced from PubChem (CID 101106031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).