2-methyl-4-prop-2-ynoxybenzaldehyde

C11H10O2 — CID 79119365

IUPAC2-methyl-4-prop-2-ynoxybenzaldehyde
SMILESC#CCOc1ccc(C=O)c(C)c1
InChIInChI=1S/C11H10O2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h1,4-5,7-8H,6H2,2H3
InChIKeyGYZSPWPTFUAJTJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-4-prop-2-ynoxybenzaldehyde

2-methyl-4-prop-2-ynoxybenzaldehyde (PubChem CID 79119365) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-methyl-4-prop-2-ynoxybenzaldehyde.

Molecular Properties

Compound Name2-methyl-4-prop-2-ynoxybenzaldehyde
PubChem CID79119365
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-methyl-4-prop-2-ynoxybenzaldehyde
SMILESC#CCOc1ccc(C=O)c(C)c1
InChIInChI=1S/C11H10O2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h1,4-5,7-8H,6H2,2H3
InChIKeyGYZSPWPTFUAJTJ-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-prop-2-ynoxybenzaldehyde 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

2-chloro-5-prop-2-ynoxybenzaldehyde
CID 169409166
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbaldehyde
CID 59285452
N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
CID 59122301
(4-formyl-3-methylphenyl) ethaneperoxoate
CID 158707388
diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane
CID 142544279
methoxymethane;methyl 5-[3-(4-formyl-3-methylphenoxy)propoxy]-2-methylbenzoate
CID 171810853
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
1,2-dimethyl-4-prop-2-ynoxybenzene;2-ethenyl-4-methylidenepyrrolidine-1-carbaldehyde
CID 144702272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-ynoxybenzaldehyde?
The IUPAC name of 2-methyl-4-prop-2-ynoxybenzaldehyde (CID 79119365) is 2-methyl-4-prop-2-ynoxybenzaldehyde.
What is the SMILES notation for 2-methyl-4-prop-2-ynoxybenzaldehyde?
The canonical SMILES for 2-methyl-4-prop-2-ynoxybenzaldehyde is C#CCOc1ccc(C=O)c(C)c1.
What is the InChIKey of 2-methyl-4-prop-2-ynoxybenzaldehyde?
The InChIKey is GYZSPWPTFUAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h1,4-5,7-8H,6H2,2H3.
What are the key properties of 2-methyl-4-prop-2-ynoxybenzaldehyde?
2-methyl-4-prop-2-ynoxybenzaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-ynoxybenzaldehyde is sourced from PubChem (CID 79119365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).