4-fluoro-1-methoxy-2-propan-2-ylbenzene

C10H13FO — CID 53399241

IUPAC4-fluoro-1-methoxy-2-propan-2-ylbenzene
SMILESCOc1ccc(F)cc1C(C)C
InChIInChI=1S/C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-7H,1-3H3
InChIKeyLOGKVZRQKYHKKW-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.96
Rot. Bonds2

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

4-fluoro-1-methoxy-2-propan-2-ylbenzene (PubChem CID 53399241) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-propan-2-ylbenzene
PubChem CID53399241
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-fluoro-1-methoxy-2-propan-2-ylbenzene
SMILESCOc1ccc(F)cc1C(C)C
InChIInChI=1S/C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-7H,1-3H3
InChIKeyLOGKVZRQKYHKKW-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The IUPAC name of 4-fluoro-1-methoxy-2-propan-2-ylbenzene (CID 53399241) is 4-fluoro-1-methoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The canonical SMILES for 4-fluoro-1-methoxy-2-propan-2-ylbenzene is COc1ccc(F)cc1C(C)C.
What is the InChIKey of 4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The InChIKey is LOGKVZRQKYHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-7H,1-3H3.
What are the key properties of 4-fluoro-1-methoxy-2-propan-2-ylbenzene?
4-fluoro-1-methoxy-2-propan-2-ylbenzene has a molecular weight of 168.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 53399241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).