(Z)-3-(2-methoxyphenyl)pent-2-enal

C12H14O2 — CID 115018197

IUPAC(Z)-3-(2-methoxyphenyl)pent-2-enal
SMILESCC/C(=C/C=O)c1ccccc1OC
InChIInChI=1S/C12H14O2/c1-3-10(8-9-13)11-6-4-5-7-12(11)14-2/h4-9H,3H2,1-2H3/b10-8-
InChIKeyRFLYPJPANHWOGL-NTMALXAHSA-N
MW190.24 g/mol
LogP2.69
Rot. Bonds4

About (Z)-3-(2-methoxyphenyl)pent-2-enal

(Z)-3-(2-methoxyphenyl)pent-2-enal (PubChem CID 115018197) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)pent-2-enal.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)pent-2-enal
PubChem CID115018197
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(Z)-3-(2-methoxyphenyl)pent-2-enal
SMILESCC/C(=C/C=O)c1ccccc1OC
InChIInChI=1S/C12H14O2/c1-3-10(8-9-13)11-6-4-5-7-12(11)14-2/h4-9H,3H2,1-2H3/b10-8-
InChIKeyRFLYPJPANHWOGL-NTMALXAHSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2-methoxyphenyl)pent-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
CID 12531508
3,3-bis(2-methoxyphenyl)prop-2-enal
CID 14347228
3-(2-methoxyphenyl)but-2-enal
CID 74217531
(E)-4-(2-methoxyphenyl)hex-3-enoic acid
CID 83957656
(Z)-3-(2-fluorophenyl)pent-2-enal
CID 115015110
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1,2-dimethoxybenzene;propanal
CID 174258099
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
2-oxoethyl 2-methoxybenzoate
CID 87871956
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
CID 174763347
CID 174763347
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)pent-2-enal?
The IUPAC name of (Z)-3-(2-methoxyphenyl)pent-2-enal (CID 115018197) is (Z)-3-(2-methoxyphenyl)pent-2-enal.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)pent-2-enal?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)pent-2-enal is CC/C(=C/C=O)c1ccccc1OC.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)pent-2-enal?
The InChIKey is RFLYPJPANHWOGL-NTMALXAHSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10(8-9-13)11-6-4-5-7-12(11)14-2/h4-9H,3H2,1-2H3/b10-8-.
What are the key properties of (Z)-3-(2-methoxyphenyl)pent-2-enal?
(Z)-3-(2-methoxyphenyl)pent-2-enal has a molecular weight of 190.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)pent-2-enal is sourced from PubChem (CID 115018197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).