3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal

C11H12O3 — CID 173246032

IUPAC3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
SMILESCOc1c(O)ccc(C=CC=O)c1C
InChIInChI=1S/C11H12O3/c1-8-9(4-3-7-12)5-6-10(13)11(8)14-2/h3-7,13H,1-2H3
InChIKeySQAOCSRNMVOWGM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal

3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal (PubChem CID 173246032) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
PubChem CID173246032
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
SMILESCOc1c(O)ccc(C=CC=O)c1C
InChIInChI=1S/C11H12O3/c1-8-9(4-3-7-12)5-6-10(13)11(8)14-2/h3-7,13H,1-2H3
InChIKeySQAOCSRNMVOWGM-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
CID 21125891
4-chloro-2-methoxy-3-methylphenol
CID 124706065
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol
CID 19890115
(E)-3-[2-(3-hydroxy-7-selenabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)-4-methoxyphenyl]prop-2-enal
CID 156771931
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
3-(5-bromo-2-hydroxyphenyl)prop-2-enal
CID 73179999
3-(2-methoxy-4-nitrophenyl)prop-2-enal
CID 169459664
2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
CID 141256156
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal?
The IUPAC name of 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal (CID 173246032) is 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal.
What is the SMILES notation for 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal?
The canonical SMILES for 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal is COc1c(O)ccc(C=CC=O)c1C.
What is the InChIKey of 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal?
The InChIKey is SQAOCSRNMVOWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-9(4-3-7-12)5-6-10(13)11(8)14-2/h3-7,13H,1-2H3.
What are the key properties of 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal?
3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal has a molecular weight of 192.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal is sourced from PubChem (CID 173246032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).