(E)-3-(4-nonoxyphenyl)prop-2-enal

C18H26O2 — CID 87527028

IUPAC(E)-3-(4-nonoxyphenyl)prop-2-enal
SMILESCCCCCCCCCOc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-16-20-18-13-11-17(12-14-18)10-9-15-19/h9-15H,2-8,16H2,1H3/b10-9+
InChIKeyKQIVXMORZLLAHH-MDZDMXLPSA-N
MW274.40 g/mol
LogP5.03
Rot. Bonds11

About (E)-3-(4-nonoxyphenyl)prop-2-enal

(E)-3-(4-nonoxyphenyl)prop-2-enal (PubChem CID 87527028) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (E)-3-(4-nonoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-nonoxyphenyl)prop-2-enal
PubChem CID87527028
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(E)-3-(4-nonoxyphenyl)prop-2-enal
SMILESCCCCCCCCCOc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-16-20-18-13-11-17(12-14-18)10-9-15-19/h9-15H,2-8,16H2,1H3/b10-9+
InChIKeyKQIVXMORZLLAHH-MDZDMXLPSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
CID 15500974
fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
CID 142526280
4-icosoxybenzaldehyde
CID 23127488
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
4-[(1E,3E)-4-(4-dodecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101332752
4-[(1E,3E)-4-(4-hexadecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101352465
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
3-[4-[2-(methylamino)ethoxy]phenyl]prop-2-enal
CID 140994421
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nonoxyphenyl)prop-2-enal?
The IUPAC name of (E)-3-(4-nonoxyphenyl)prop-2-enal (CID 87527028) is (E)-3-(4-nonoxyphenyl)prop-2-enal.
What is the SMILES notation for (E)-3-(4-nonoxyphenyl)prop-2-enal?
The canonical SMILES for (E)-3-(4-nonoxyphenyl)prop-2-enal is CCCCCCCCCOc1ccc(/C=C/C=O)cc1.
What is the InChIKey of (E)-3-(4-nonoxyphenyl)prop-2-enal?
The InChIKey is KQIVXMORZLLAHH-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-16-20-18-13-11-17(12-14-18)10-9-15-19/h9-15H,2-8,16H2,1H3/b10-9+.
What are the key properties of (E)-3-(4-nonoxyphenyl)prop-2-enal?
(E)-3-(4-nonoxyphenyl)prop-2-enal has a molecular weight of 274.40 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nonoxyphenyl)prop-2-enal is sourced from PubChem (CID 87527028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).