(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol

C11H11FO2 — CID 63365914

IUPAC(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C11H11FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h1,4-5,7-8,13H,6H2,2H3/t8-/m1/s1
InChIKeySPZRJMAWGRTCSD-MRVPVSSYSA-N
MW194.20 g/mol
LogP1.89
Rot. Bonds3

About (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol

(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol (PubChem CID 63365914) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
PubChem CID63365914
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C11H11FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h1,4-5,7-8,13H,6H2,2H3/t8-/m1/s1
InChIKeySPZRJMAWGRTCSD-MRVPVSSYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol (CID 63365914) is (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol is C#CCOc1cc(F)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol?
The InChIKey is SPZRJMAWGRTCSD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h1,4-5,7-8,13H,6H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol?
(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol has a molecular weight of 194.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol is sourced from PubChem (CID 63365914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).