methanol;(E)-3-(4-propylphenyl)prop-2-enal

C13H18O2 — CID 143472715

IUPACmethanol;(E)-3-(4-propylphenyl)prop-2-enal
SMILESCCCc1ccc(/C=C/C=O)cc1.CO
InChIInChI=1S/C12H14O.CH4O/c1-2-4-11-6-8-12(9-7-11)5-3-10-13;1-2/h3,5-10H,2,4H2,1H3;2H,1H3/b5-3+;
InChIKeyPNTCCYSAWUFCID-WGCWOXMQSA-N
MW206.28 g/mol
LogP2.46
Rot. Bonds4

About methanol;(E)-3-(4-propylphenyl)prop-2-enal

methanol;(E)-3-(4-propylphenyl)prop-2-enal (PubChem CID 143472715) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methanol;(E)-3-(4-propylphenyl)prop-2-enal.

Molecular Properties

Compound Namemethanol;(E)-3-(4-propylphenyl)prop-2-enal
PubChem CID143472715
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethanol;(E)-3-(4-propylphenyl)prop-2-enal
SMILESCCCc1ccc(/C=C/C=O)cc1.CO
InChIInChI=1S/C12H14O.CH4O/c1-2-4-11-6-8-12(9-7-11)5-3-10-13;1-2/h3,5-10H,2,4H2,1H3;2H,1H3/b5-3+;
InChIKeyPNTCCYSAWUFCID-WGCWOXMQSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butylphenyl)prop-2-enal
CID 20981088
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
3-[4-(methoxymethyl)phenyl]prop-2-enal
CID 79330682
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
3-(6-butylnaphthalen-2-yl)prop-2-enal
CID 176869806
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
4-propylthiobenzaldehyde
CID 19091704
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085

Frequently Asked Questions

What is the IUPAC name of methanol;(E)-3-(4-propylphenyl)prop-2-enal?
The IUPAC name of methanol;(E)-3-(4-propylphenyl)prop-2-enal (CID 143472715) is methanol;(E)-3-(4-propylphenyl)prop-2-enal.
What is the SMILES notation for methanol;(E)-3-(4-propylphenyl)prop-2-enal?
The canonical SMILES for methanol;(E)-3-(4-propylphenyl)prop-2-enal is CCCc1ccc(/C=C/C=O)cc1.CO.
What is the InChIKey of methanol;(E)-3-(4-propylphenyl)prop-2-enal?
The InChIKey is PNTCCYSAWUFCID-WGCWOXMQSA-N. The full InChI is InChI=1S/C12H14O.CH4O/c1-2-4-11-6-8-12(9-7-11)5-3-10-13;1-2/h3,5-10H,2,4H2,1H3;2H,1H3/b5-3+;.
What are the key properties of methanol;(E)-3-(4-propylphenyl)prop-2-enal?
methanol;(E)-3-(4-propylphenyl)prop-2-enal has a molecular weight of 206.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(E)-3-(4-propylphenyl)prop-2-enal is sourced from PubChem (CID 143472715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).