4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene

C11H11FO2 — CID 123425580

IUPAC4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene
SMILESC=CC(=C)Oc1ccc(OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-4-8(2)14-9-5-6-11(13-3)10(12)7-9/h4-7H,1-2H2,3H3
InChIKeyHHMXKSFSDMOZOR-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.91
Rot. Bonds4

About 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene

4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene (PubChem CID 123425580) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene
PubChem CID123425580
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene
SMILESC=CC(=C)Oc1ccc(OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-4-8(2)14-9-5-6-11(13-3)10(12)7-9/h4-7H,1-2H2,3H3
InChIKeyHHMXKSFSDMOZOR-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
(3-fluoro-4-methoxyphenoxy)methanol
CID 89257829
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
1-buta-1,3-dien-2-yloxy-4-fluoro-2-methylbenzene
CID 167112017
3-fluoro-4-methoxyphenol
CID 14661613
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene
CID 174166098
2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol
CID 167070066
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 82281962

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene (CID 123425580) is 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene is C=CC(=C)Oc1ccc(OC)c(F)c1.
What is the InChIKey of 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene?
The InChIKey is HHMXKSFSDMOZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-4-8(2)14-9-5-6-11(13-3)10(12)7-9/h4-7H,1-2H2,3H3.
What are the key properties of 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene?
4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene has a molecular weight of 194.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 123425580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).