(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal

C14H16O — CID 173321870

IUPAC(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
SMILESCCC/C=C\c1ccccc1/C=C/C=O
InChIInChI=1S/C14H16O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h4-12H,2-3H2,1H3/b8-4-,11-7+
InChIKeyFBZIAGHHYNYRPP-USRDNGHPSA-N
MW200.28 g/mol
LogP3.71
Rot. Bonds5

About (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal

(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal (PubChem CID 173321870) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
PubChem CID173321870
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
SMILESCCC/C=C\c1ccccc1/C=C/C=O
InChIInChI=1S/C14H16O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h4-12H,2-3H2,1H3/b8-4-,11-7+
InChIKeyFBZIAGHHYNYRPP-USRDNGHPSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal (CID 173321870) is (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal is CCC/C=C\c1ccccc1/C=C/C=O.
What is the InChIKey of (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal?
The InChIKey is FBZIAGHHYNYRPP-USRDNGHPSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h4-12H,2-3H2,1H3/b8-4-,11-7+.
What are the key properties of (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal?
(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal has a molecular weight of 200.28 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal is sourced from PubChem (CID 173321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).