1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene

C20H26F2O2 — CID 177172407

IUPAC1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
SMILESCOc1c(F)cccc1C(C)C.COc1ccc(F)cc1C(C)C
InChIInChI=1S/2C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-5-4-6-9(11)10(8)12-3/h2*4-7H,1-3H3
InChIKeyHGBWPGKADWUJHQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.92
Rot. Bonds4

About 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene

1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene (PubChem CID 177172407) has the molecular formula C20H26F2O2 and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
PubChem CID177172407
Molecular FormulaC20H26F2O2
Molecular Weight336.42 g/mol
Exact Mass336.19
IUPAC Name1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
SMILESCOc1c(F)cccc1C(C)C.COc1ccc(F)cc1C(C)C
InChIInChI=1S/2C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-5-4-6-9(11)10(8)12-3/h2*4-7H,1-3H3
InChIKeyHGBWPGKADWUJHQ-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-butan-2-yl-2-fluoro-1-methoxybenzene;1-fluoro-2-methoxy-3-propan-2-ylbenzene
CID 171630666
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene (CID 177172407) is 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene is COc1c(F)cccc1C(C)C.COc1ccc(F)cc1C(C)C.
What is the InChIKey of 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene?
The InChIKey is HGBWPGKADWUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13FO/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-5-4-6-9(11)10(8)12-3/h2*4-7H,1-3H3.
What are the key properties of 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene?
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene has a molecular weight of 336.42 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 177172407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).