ethane;5-fluoro-2-prop-1-en-2-ylphenol

C11H15FO — CID 142945481

IUPACethane;5-fluoro-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(F)cc1O.CC
InChIInChI=1S/C9H9FO.C2H6/c1-6(2)8-4-3-7(10)5-9(8)11;1-2/h3-5,11H,1H2,2H3;1-2H3
InChIKeyGLIGIBWIBIPFIU-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.59
Rot. Bonds1

About ethane;5-fluoro-2-prop-1-en-2-ylphenol

ethane;5-fluoro-2-prop-1-en-2-ylphenol (PubChem CID 142945481) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is ethane;5-fluoro-2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Nameethane;5-fluoro-2-prop-1-en-2-ylphenol
PubChem CID142945481
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Nameethane;5-fluoro-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(F)cc1O.CC
InChIInChI=1S/C9H9FO.C2H6/c1-6(2)8-4-3-7(10)5-9(8)11;1-2/h3-5,11H,1H2,2H3;1-2H3
InChIKeyGLIGIBWIBIPFIU-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 157040724
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
CID 171837963
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
CID 164896501
ethane;(Z)-1-(4-fluoro-2-hydroxyphenyl)-2-methylbut-2-en-1-one;2-methylpropane
CID 156877784
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 153370465
5-fluoro-2-methylphenol;2-methylprop-2-enoic acid
CID 175752999
actinium;2-prop-1-en-2-ylphenol
CID 20669246
5-fluoro-2-methylphenol
CID 2774616

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-prop-1-en-2-ylphenol?
The IUPAC name of ethane;5-fluoro-2-prop-1-en-2-ylphenol (CID 142945481) is ethane;5-fluoro-2-prop-1-en-2-ylphenol.
What is the SMILES notation for ethane;5-fluoro-2-prop-1-en-2-ylphenol?
The canonical SMILES for ethane;5-fluoro-2-prop-1-en-2-ylphenol is C=C(C)c1ccc(F)cc1O.CC.
What is the InChIKey of ethane;5-fluoro-2-prop-1-en-2-ylphenol?
The InChIKey is GLIGIBWIBIPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO.C2H6/c1-6(2)8-4-3-7(10)5-9(8)11;1-2/h3-5,11H,1H2,2H3;1-2H3.
What are the key properties of ethane;5-fluoro-2-prop-1-en-2-ylphenol?
ethane;5-fluoro-2-prop-1-en-2-ylphenol has a molecular weight of 182.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-prop-1-en-2-ylphenol is sourced from PubChem (CID 142945481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).