4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene

C12H16F2O2 — CID 121300586

IUPAC4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
SMILESCOc1ccc(C(C)(C)C)cc1OC(F)F
InChIInChI=1S/C12H16F2O2/c1-12(2,3)8-5-6-9(15-4)10(7-8)16-11(13)14/h5-7,11H,1-4H3
InChIKeyIZWLIAVIZVFZGV-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.59
Rot. Bonds3

About 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene

4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene (PubChem CID 121300586) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
PubChem CID121300586
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
SMILESCOc1ccc(C(C)(C)C)cc1OC(F)F
InChIInChI=1S/C12H16F2O2/c1-12(2,3)8-5-6-9(15-4)10(7-8)16-11(13)14/h5-7,11H,1-4H3
InChIKeyIZWLIAVIZVFZGV-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene?
The IUPAC name of 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene (CID 121300586) is 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene.
What is the SMILES notation for 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene?
The canonical SMILES for 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene is COc1ccc(C(C)(C)C)cc1OC(F)F.
What is the InChIKey of 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene?
The InChIKey is IZWLIAVIZVFZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-12(2,3)8-5-6-9(15-4)10(7-8)16-11(13)14/h5-7,11H,1-4H3.
What are the key properties of 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene?
4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene has a molecular weight of 230.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene is sourced from PubChem (CID 121300586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).