2-bromo-4-propan-2-yloxybenzaldehyde

C10H11BrO2 — CID 104573949

IUPAC2-bromo-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(Br)c1
InChIInChI=1S/C10H11BrO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3
InChIKeyLUHAPZYSDFMURG-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.05
Rot. Bonds3

About 2-bromo-4-propan-2-yloxybenzaldehyde

2-bromo-4-propan-2-yloxybenzaldehyde (PubChem CID 104573949) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-bromo-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-propan-2-yloxybenzaldehyde
PubChem CID104573949
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-bromo-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(Br)c1
InChIInChI=1S/C10H11BrO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3
InChIKeyLUHAPZYSDFMURG-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.05
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-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2-bromo-5-(1-fluoroethoxy)benzaldehyde
CID 177207164
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
2-(4-bromo-3-formylphenoxy)propanamide
CID 81494404
methyl 3-(3-bromo-4-formylphenoxy)benzoate
CID 59525517
2-bromo-4-(difluoromethyl)benzaldehyde
CID 84698198
2-bromo-4-(2-phenylmethoxypropoxy)benzaldehyde
CID 87530220
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 2-bromo-4-propan-2-yloxybenzaldehyde (CID 104573949) is 2-bromo-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 2-bromo-4-propan-2-yloxybenzaldehyde is CC(C)Oc1ccc(C=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-propan-2-yloxybenzaldehyde?
The InChIKey is LUHAPZYSDFMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3.
What are the key properties of 2-bromo-4-propan-2-yloxybenzaldehyde?
2-bromo-4-propan-2-yloxybenzaldehyde has a molecular weight of 243.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 104573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).