1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol

C18H17FO2 — CID 54193003

IUPAC1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol
SMILESCC(C)C(O)C#Cc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C18H17FO2/c1-13(2)17(20)12-9-14-7-10-15(11-8-14)21-18-6-4-3-5-16(18)19/h3-8,10-11,13,17,20H,1-2H3
InChIKeyPJURTQZACOIEBQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.99
Rot. Bonds3

About 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol

1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol (PubChem CID 54193003) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol
PubChem CID54193003
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol
SMILESCC(C)C(O)C#Cc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C18H17FO2/c1-13(2)17(20)12-9-14-7-10-15(11-8-14)21-18-6-4-3-5-16(18)19/h3-8,10-11,13,17,20H,1-2H3
InChIKeyPJURTQZACOIEBQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.99
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

3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 54137190
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
CID 21322355
3-[4-(2-fluorophenoxy)phenyl]butanoic acid
CID 82306805
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
CID 113247632
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol?
The IUPAC name of 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol (CID 54193003) is 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol?
The canonical SMILES for 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol is CC(C)C(O)C#Cc1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol?
The InChIKey is PJURTQZACOIEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-13(2)17(20)12-9-14-7-10-15(11-8-14)21-18-6-4-3-5-16(18)19/h3-8,10-11,13,17,20H,1-2H3.
What are the key properties of 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol?
1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol has a molecular weight of 284.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol is sourced from PubChem (CID 54193003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).