4-fluoro-1-methoxy-2-propan-2-yloxybenzene

C10H13FO2 — CID 126993061

IUPAC4-fluoro-1-methoxy-2-propan-2-yloxybenzene
SMILESCOc1ccc(F)cc1OC(C)C
InChIInChI=1S/C10H13FO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,1-3H3
InChIKeyFSGIEVAUKUFUHI-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.62
Rot. Bonds3

About 4-fluoro-1-methoxy-2-propan-2-yloxybenzene

4-fluoro-1-methoxy-2-propan-2-yloxybenzene (PubChem CID 126993061) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-propan-2-yloxybenzene
PubChem CID126993061
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-fluoro-1-methoxy-2-propan-2-yloxybenzene
SMILESCOc1ccc(F)cc1OC(C)C
InChIInChI=1S/C10H13FO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,1-3H3
InChIKeyFSGIEVAUKUFUHI-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
(5-fluoro-2-methoxyphenyl)-methylboranuide
CID 137328687
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-propan-2-yloxybenzene?
The IUPAC name of 4-fluoro-1-methoxy-2-propan-2-yloxybenzene (CID 126993061) is 4-fluoro-1-methoxy-2-propan-2-yloxybenzene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-propan-2-yloxybenzene?
The canonical SMILES for 4-fluoro-1-methoxy-2-propan-2-yloxybenzene is COc1ccc(F)cc1OC(C)C.
What is the InChIKey of 4-fluoro-1-methoxy-2-propan-2-yloxybenzene?
The InChIKey is FSGIEVAUKUFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,1-3H3.
What are the key properties of 4-fluoro-1-methoxy-2-propan-2-yloxybenzene?
4-fluoro-1-methoxy-2-propan-2-yloxybenzene has a molecular weight of 184.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-2-propan-2-yloxybenzene is sourced from PubChem (CID 126993061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).