ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol

C13H17FN2O2 — CID 171106825

IUPACethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
SMILESC=CCOc1cc(CO)c2[nH]ncc2c1F.CC
InChIInChI=1S/C11H11FN2O2.C2H6/c1-2-3-16-9-4-7(6-15)11-8(10(9)12)5-13-14-11;1-2/h2,4-5,15H,1,3,6H2,(H,13,14);1-2H3
InChIKeyQTXCDGLLMVEQRO-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.79
Rot. Bonds4

About ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol

ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol (PubChem CID 171106825) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol.

Molecular Properties

Compound Nameethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
PubChem CID171106825
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
SMILESC=CCOc1cc(CO)c2[nH]ncc2c1F.CC
InChIInChI=1S/C11H11FN2O2.C2H6/c1-2-3-16-9-4-7(6-15)11-8(10(9)12)5-13-14-11;1-2/h2,4-5,15H,1,3,6H2,(H,13,14);1-2H3
InChIKeyQTXCDGLLMVEQRO-UHFFFAOYSA-N
XLogP2.79
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
CID 101326378
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
(2-prop-2-enoxyphenyl)methanol
CID 11137475
(5-methyl-1H-indazol-7-yl)methanol
CID 76846426
[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol
CID 101326376
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377
hydroxy-[4-[hydroxy(dimethyl)silyl]-2,5-bis(prop-2-enoxy)phenyl]-dimethylsilane
CID 102325497
1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene
CID 134259620
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143

Frequently Asked Questions

What is the IUPAC name of ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol?
The IUPAC name of ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol (CID 171106825) is ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol.
What is the SMILES notation for ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol?
The canonical SMILES for ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol is C=CCOc1cc(CO)c2[nH]ncc2c1F.CC.
What is the InChIKey of ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol?
The InChIKey is QTXCDGLLMVEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2.C2H6/c1-2-3-16-9-4-7(6-15)11-8(10(9)12)5-13-14-11;1-2/h2,4-5,15H,1,3,6H2,(H,13,14);1-2H3.
What are the key properties of ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol?
ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol has a molecular weight of 252.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol is sourced from PubChem (CID 171106825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).