1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene

C12H14F2O3 — CID 118254959

IUPAC1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OC)c(OC(F)F)c1
InChIInChI=1S/C12H14F2O3/c1-4-5-8-6-9(15-2)11(16-3)10(7-8)17-12(13)14/h4,6-7,12H,1,5H2,2-3H3
InChIKeyHVPUOYCTWMFGKX-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.03
Rot. Bonds6

About 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene

1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene (PubChem CID 118254959) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
PubChem CID118254959
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OC)c(OC(F)F)c1
InChIInChI=1S/C12H14F2O3/c1-4-5-8-6-9(15-2)11(16-3)10(7-8)17-12(13)14/h4,6-7,12H,1,5H2,2-3H3
InChIKeyHVPUOYCTWMFGKX-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
CID 141497622
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 46834546
2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene
CID 67676075
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene (CID 118254959) is 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene is C=CCc1cc(OC)c(OC)c(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene?
The InChIKey is HVPUOYCTWMFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-4-5-8-6-9(15-2)11(16-3)10(7-8)17-12(13)14/h4,6-7,12H,1,5H2,2-3H3.
What are the key properties of 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene?
1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene has a molecular weight of 244.24 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene is sourced from PubChem (CID 118254959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).