3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal

C12H14O2 — CID 79331206

IUPAC3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
SMILESCOc1ccc(C=C(C)C=O)cc1C
InChIInChI=1S/C12H14O2/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-8H,1-3H3
InChIKeyFPZPAIICRBTTPZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.61
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal

3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal (PubChem CID 79331206) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
PubChem CID79331206
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
SMILESCOc1ccc(C=C(C)C=O)cc1C
InChIInChI=1S/C12H14O2/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-8H,1-3H3
InChIKeyFPZPAIICRBTTPZ-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.61
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'}

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Related Compounds

(E)-3-(3,4-dimethylphenyl)-2-methylprop-2-enal
CID 131473075
(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
2-[(4-methoxy-3-methylphenyl)methylidene]butanal
CID 79334147
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
(Z)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enal
CID 131352523
2-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-enal
CID 79330789
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
(E)-3-(3-methoxy-4-methylphenyl)prop-2-enal;(E)-3-(4-methoxy-3-methylphenyl)prop-2-enal
CID 161195090
(E)-3-(4-methoxy-3-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 24582564
1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene
CID 131860432
(2E,3E)-2,3-bis[(3,4-dimethoxyphenyl)methylidene]butanedial
CID 87976000

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal (CID 79331206) is 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal is COc1ccc(C=C(C)C=O)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal?
The InChIKey is FPZPAIICRBTTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-8H,1-3H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal?
3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal has a molecular weight of 190.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal is sourced from PubChem (CID 79331206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).