ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol

C12H17FO2 — CID 144723100

IUPACethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
SMILESC=CCOc1cc(F)cc(CO)c1.CC
InChIInChI=1S/C10H11FO2.C2H6/c1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2/h2,4-6,12H,1,3,7H2;1-2H3
InChIKeyVIESNZHCOIFIQP-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.91
Rot. Bonds4

About ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol

ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol (PubChem CID 144723100) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol.

Molecular Properties

Compound Nameethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
PubChem CID144723100
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Nameethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
SMILESC=CCOc1cc(F)cc(CO)c1.CC
InChIInChI=1S/C10H11FO2.C2H6/c1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2/h2,4-6,12H,1,3,7H2;1-2H3
InChIKeyVIESNZHCOIFIQP-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol
CID 163778657
ethane;(3-fluoro-5-methylsulfanylphenyl)methanol
CID 176708599
[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726357
[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 106726358
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanol
CID 102939888
(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol
CID 22220080
2-(3-ethoxy-5-fluorophenyl)ethanol
CID 91657275
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 164915273
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622

Frequently Asked Questions

What is the IUPAC name of ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol?
The IUPAC name of ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol (CID 144723100) is ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol.
What is the SMILES notation for ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol?
The canonical SMILES for ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol is C=CCOc1cc(F)cc(CO)c1.CC.
What is the InChIKey of ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol?
The InChIKey is VIESNZHCOIFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2.C2H6/c1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2/h2,4-6,12H,1,3,7H2;1-2H3.
What are the key properties of ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol?
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol has a molecular weight of 212.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol is sourced from PubChem (CID 144723100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).