4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde

C11H12O3 — CID 142702525

IUPAC4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1c(O)ccc(C=O)c1OC
InChIInChI=1S/C11H12O3/c1-3-4-9-10(13)6-5-8(7-12)11(9)14-2/h3,5-7,13H,1,4H2,2H3
InChIKeyKGHMKPCCZGCHAQ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.94
Rot. Bonds4

About 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde

4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde (PubChem CID 142702525) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
PubChem CID142702525
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
SMILESC=CCc1c(O)ccc(C=O)c1OC
InChIInChI=1S/C11H12O3/c1-3-4-9-10(13)6-5-8(7-12)11(9)14-2/h3,5-7,13H,1,4H2,2H3
InChIKeyKGHMKPCCZGCHAQ-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
CID 67715458
5-hydroxy-1-methoxy-9,10-dioxo-6-prop-2-enylanthracene-2-carbaldehyde
CID 100970608
3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
CID 56680360
3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde
CID 86025869
2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
4-tert-butyl-2-prop-2-enylbenzene-1,3-diol
CID 88510816
(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
CID 21125891
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
CID 141256156

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde?
The IUPAC name of 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde (CID 142702525) is 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde.
What is the SMILES notation for 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde?
The canonical SMILES for 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde is C=CCc1c(O)ccc(C=O)c1OC.
What is the InChIKey of 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde?
The InChIKey is KGHMKPCCZGCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-9-10(13)6-5-8(7-12)11(9)14-2/h3,5-7,13H,1,4H2,2H3.
What are the key properties of 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde?
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde is sourced from PubChem (CID 142702525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).