1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene

C10H12F2O2 — CID 164894496

IUPAC1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)c(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3
InChIKeyGKABJFOHBMXYBH-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.76
Rot. Bonds3

About 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene

1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene (PubChem CID 164894496) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
PubChem CID164894496
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)c(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3
InChIKeyGKABJFOHBMXYBH-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene?
The IUPAC name of 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene (CID 164894496) is 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene.
What is the SMILES notation for 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene?
The canonical SMILES for 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene is COc1cc(OC(C)C)c(F)cc1F.
What is the InChIKey of 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene?
The InChIKey is GKABJFOHBMXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(2)14-10-5-9(13-3)7(11)4-8(10)12/h4-6H,1-3H3.
What are the key properties of 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene?
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene has a molecular weight of 202.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene is sourced from PubChem (CID 164894496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).