1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol

C12H15FO — CID 176716143

IUPAC1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(F)cc1C(C)C
InChIInChI=1S/C12H15FO/c1-4-12(14)10-6-5-9(13)7-11(10)8(2)3/h4-8,12,14H,1H2,2-3H3
InChIKeyZCDCWQCCWLHDQO-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol

1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol (PubChem CID 176716143) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
PubChem CID176716143
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(F)cc1C(C)C
InChIInChI=1S/C12H15FO/c1-4-12(14)10-6-5-9(13)7-11(10)8(2)3/h4-8,12,14H,1H2,2-3H3
InChIKeyZCDCWQCCWLHDQO-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.17
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-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
CID 176716116
1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
CID 176716078
1-(2-fluoro-4-methylphenyl)prop-2-en-1-ol
CID 115814697
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
4-fluoro-2-propan-2-ylbenzenethiol
CID 67556850
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
CID 166833945

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol (CID 176716143) is 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol is C=CC(O)c1ccc(F)cc1C(C)C.
What is the InChIKey of 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol?
The InChIKey is ZCDCWQCCWLHDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-4-12(14)10-6-5-9(13)7-11(10)8(2)3/h4-8,12,14H,1H2,2-3H3.
What are the key properties of 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol?
1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol has a molecular weight of 194.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 176716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).