2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol

C14H17FO2 — CID 58242271

IUPAC2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol
SMILESCC(C)C#Cc1ccc(F)cc1OC(C)CO
InChIInChI=1S/C14H17FO2/c1-10(2)4-5-12-6-7-13(15)8-14(12)17-11(3)9-16/h6-8,10-11,16H,9H2,1-3H3
InChIKeyPQZGLQRDSLADEJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.59
Rot. Bonds3

About 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol

2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol (PubChem CID 58242271) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol
PubChem CID58242271
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol
SMILESCC(C)C#Cc1ccc(F)cc1OC(C)CO
InChIInChI=1S/C14H17FO2/c1-10(2)4-5-12-6-7-13(15)8-14(12)17-11(3)9-16/h6-8,10-11,16H,9H2,1-3H3
InChIKeyPQZGLQRDSLADEJ-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.59
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

(2S)-2-(2-but-1-ynylphenoxy)propan-1-ol
CID 70660537
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
CID 89102627
2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1-hydroxypropan-2-yloxy)benzonitrile
CID 70567304
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol?
The IUPAC name of 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol (CID 58242271) is 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol is CC(C)C#Cc1ccc(F)cc1OC(C)CO.
What is the InChIKey of 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol?
The InChIKey is PQZGLQRDSLADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10(2)4-5-12-6-7-13(15)8-14(12)17-11(3)9-16/h6-8,10-11,16H,9H2,1-3H3.
What are the key properties of 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol?
2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol has a molecular weight of 236.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(3-methylbut-1-ynyl)phenoxy]propan-1-ol is sourced from PubChem (CID 58242271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).