4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde

C11H12F2O3 — CID 21187955

IUPAC4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2O3/c1-7(2)15-10-5-8(6-14)3-4-9(10)16-11(12)13/h3-7,11H,1-2H3
InChIKeyWFWROCAQACMMIP-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.89
Rot. Bonds5

About 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde

4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde (PubChem CID 21187955) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
PubChem CID21187955
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2O3/c1-7(2)15-10-5-8(6-14)3-4-9(10)16-11(12)13/h3-7,11H,1-2H3
InChIKeyWFWROCAQACMMIP-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
CID 164893527
2-bromopropane;4-(difluoromethoxy)-3-hydroxybenzaldehyde;4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde;4-(difluoromethoxy)-3-propan-2-yloxybenzoic acid
CID 165067170
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
3-[3,4-bis(difluoromethoxy)phenyl]prop-2-enal
CID 169460078
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
CID 122475460

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde?
The IUPAC name of 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde (CID 21187955) is 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde is CC(C)Oc1cc(C=O)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde?
The InChIKey is WFWROCAQACMMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-7(2)15-10-5-8(6-14)3-4-9(10)16-11(12)13/h3-7,11H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde?
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde has a molecular weight of 230.21 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 21187955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).