4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde

C11H12O2 — CID 59720398

IUPAC4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(C)c1O
InChIInChI=1S/C11H12O2/c1-3-4-10-6-9(7-12)5-8(2)11(10)13/h3,5-7,13H,1,4H2,2H3
InChIKeyUHXGNYNYQKPQND-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.24
Rot. Bonds3

About 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde

4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde (PubChem CID 59720398) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
PubChem CID59720398
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(C)c1O
InChIInChI=1S/C11H12O2/c1-3-4-10-6-9(7-12)5-8(2)11(10)13/h3,5-7,13H,1,4H2,2H3
InChIKeyUHXGNYNYQKPQND-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-methyl-5-prop-2-enylphenyl) acetate
CID 165355215
3-methyl-5-prop-2-enyl-4-propoxybenzaldehyde
CID 54850083
3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544
2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
CID 101178100
5-formyl-2-(5-formyl-2-hydroxy-3-prop-2-enylbenzoyl)oxy-3-prop-2-enylbenzoic acid
CID 90870427
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
CID 20793098
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde?
The IUPAC name of 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde (CID 59720398) is 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde?
The canonical SMILES for 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde is C=CCc1cc(C=O)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde?
The InChIKey is UHXGNYNYQKPQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-4-10-6-9(7-12)5-8(2)11(10)13/h3,5-7,13H,1,4H2,2H3.
What are the key properties of 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde?
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde has a molecular weight of 176.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde is sourced from PubChem (CID 59720398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).