1-fluoro-4-(1-methoxyethyl)benzene

C9H11FO — CID 15049496

IUPAC1-fluoro-4-(1-methoxyethyl)benzene
SMILESCOC(C)c1ccc(F)cc1
InChIInChI=1S/C9H11FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyQJVVITCWTCLUAK-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.53
Rot. Bonds2

About 1-fluoro-4-(1-methoxyethyl)benzene

1-fluoro-4-(1-methoxyethyl)benzene (PubChem CID 15049496) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-fluoro-4-(1-methoxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(1-methoxyethyl)benzene
PubChem CID15049496
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name1-fluoro-4-(1-methoxyethyl)benzene
SMILESCOC(C)c1ccc(F)cc1
InChIInChI=1S/C9H11FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyQJVVITCWTCLUAK-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
1-Phenylethanol, (R)-
CID 637516
Benzyl ethyl ether
CID 10873
1-Phenylethanol, (S)-
CID 443135
Benzyl butyl ether
CID 61134

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-methoxyethyl)benzene?
The IUPAC name of 1-fluoro-4-(1-methoxyethyl)benzene (CID 15049496) is 1-fluoro-4-(1-methoxyethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(1-methoxyethyl)benzene?
The canonical SMILES for 1-fluoro-4-(1-methoxyethyl)benzene is COC(C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(1-methoxyethyl)benzene?
The InChIKey is QJVVITCWTCLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-fluoro-4-(1-methoxyethyl)benzene?
1-fluoro-4-(1-methoxyethyl)benzene has a molecular weight of 154.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-methoxyethyl)benzene is sourced from PubChem (CID 15049496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).