ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol

C12H17FO — CID 176716116

IUPACethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(F)cc1C.CC
InChIInChI=1S/C10H11FO.C2H6/c1-3-10(12)9-5-4-8(11)6-7(9)2;1-2/h3-6,10,12H,1H2,2H3;1-2H3
InChIKeyHXGHGCMJXJHOSU-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.38
Rot. Bonds2

About ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol

ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol (PubChem CID 176716116) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Nameethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
PubChem CID176716116
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Nameethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(F)cc1C.CC
InChIInChI=1S/C10H11FO.C2H6/c1-3-10(12)9-5-4-8(11)6-7(9)2;1-2/h3-6,10,12H,1H2,2H3;1-2H3
InChIKeyHXGHGCMJXJHOSU-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
1-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
1-(2-fluoro-4-methylphenyl)prop-2-en-1-ol
CID 115814697
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
CID 176716078
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457195
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol?
The IUPAC name of ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol (CID 176716116) is ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol is C=CC(O)c1ccc(F)cc1C.CC.
What is the InChIKey of ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol?
The InChIKey is HXGHGCMJXJHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.C2H6/c1-3-10(12)9-5-4-8(11)6-7(9)2;1-2/h3-6,10,12H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol?
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol has a molecular weight of 196.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 176716116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).