1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene

C10H11FO — CID 125475931

IUPAC1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\C)F)cc1
InChIInChI=1S/C10H11FO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7+
InChIKeyALCLHKJTPKWJKA-BQYQJAHWSA-N
MW166.19 g/mol
LogP3.03
Rot. Bonds2

About 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene

1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene (PubChem CID 125475931) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
PubChem CID125475931
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\C)F)cc1
InChIInChI=1S/C10H11FO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7+
InChIKeyALCLHKJTPKWJKA-BQYQJAHWSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
CID 162990023
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 101020500
1-(4-methoxyphenyl)prop-1-ene-2-sulfonyl chloride
CID 74860286
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene (CID 125475931) is 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene is COc1ccc(/C=C(\C)F)cc1.
What is the InChIKey of 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene?
The InChIKey is ALCLHKJTPKWJKA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11FO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7+.
What are the key properties of 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene?
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene has a molecular weight of 166.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 125475931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).