2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde

C12H16O2 — CID 83878089

IUPAC2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
SMILESCc1ccc(CC=O)c(OC(C)C)c1
InChIInChI=1S/C12H16O2/c1-9(2)14-12-8-10(3)4-5-11(12)6-7-13/h4-5,7-9H,6H2,1-3H3
InChIKeyDOGKMOUDQFMWBM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde

2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde (PubChem CID 83878089) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
PubChem CID83878089
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
SMILESCc1ccc(CC=O)c(OC(C)C)c1
InChIInChI=1S/C12H16O2/c1-9(2)14-12-8-10(3)4-5-11(12)6-7-13/h4-5,7-9H,6H2,1-3H3
InChIKeyDOGKMOUDQFMWBM-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
1-iodo-4-methyl-2-propan-2-yloxybenzene
CID 164893598
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
CID 145107879
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
CID 115006226
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
2-[3-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylphenyl]acetaldehyde
CID 58494069
2-amino-3-(5-methyl-2-propan-2-yloxyphenyl)propanoic acid
CID 117347034
3-[2-(difluoromethoxy)-5-methylphenyl]propanal
CID 118848434
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 86819026

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde (CID 83878089) is 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde is Cc1ccc(CC=O)c(OC(C)C)c1.
What is the InChIKey of 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde?
The InChIKey is DOGKMOUDQFMWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)14-12-8-10(3)4-5-11(12)6-7-13/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde?
2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde is sourced from PubChem (CID 83878089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).