4-(4-methoxyphenyl)pent-4-enal

C12H14O2 — CID 102505314

IUPAC4-(4-methoxyphenyl)pent-4-enal
SMILESC=C(CCC=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O2/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h5-9H,1,3-4H2,2H3
InChIKeyAHDOTQIULBHAKE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.69
Rot. Bonds5

About 4-(4-methoxyphenyl)pent-4-enal

4-(4-methoxyphenyl)pent-4-enal (PubChem CID 102505314) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pent-4-enal.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pent-4-enal
PubChem CID102505314
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(4-methoxyphenyl)pent-4-enal
SMILESC=C(CCC=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O2/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h5-9H,1,3-4H2,2H3
InChIKeyAHDOTQIULBHAKE-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118
N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
S-(3-oxoprop-1-en-2-yl) 4-methoxybenzenecarbothioate
CID 121220366
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pent-4-enal?
The IUPAC name of 4-(4-methoxyphenyl)pent-4-enal (CID 102505314) is 4-(4-methoxyphenyl)pent-4-enal.
What is the SMILES notation for 4-(4-methoxyphenyl)pent-4-enal?
The canonical SMILES for 4-(4-methoxyphenyl)pent-4-enal is C=C(CCC=O)c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pent-4-enal?
The InChIKey is AHDOTQIULBHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h5-9H,1,3-4H2,2H3.
What are the key properties of 4-(4-methoxyphenyl)pent-4-enal?
4-(4-methoxyphenyl)pent-4-enal has a molecular weight of 190.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pent-4-enal is sourced from PubChem (CID 102505314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).