(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol

C12H11FO — CID 22730943

IUPAC(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol
SMILESC/C(C#Cc1ccc(F)cc1)=C/CO
InChIInChI=1S/C12H11FO/c1-10(8-9-14)2-3-11-4-6-12(13)7-5-11/h4-8,14H,9H2,1H3/b10-8-
InChIKeyQLDCDUIXNXNXRB-NTMALXAHSA-N
MW190.22 g/mol
LogP2.12
Rot. Bonds1

About (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol

(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol (PubChem CID 22730943) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol
PubChem CID22730943
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol
SMILESC/C(C#Cc1ccc(F)cc1)=C/CO
InChIInChI=1S/C12H11FO/c1-10(8-9-14)2-3-11-4-6-12(13)7-5-11/h4-8,14H,9H2,1H3/b10-8-
InChIKeyQLDCDUIXNXNXRB-NTMALXAHSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol?
The IUPAC name of (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol (CID 22730943) is (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol is C/C(C#Cc1ccc(F)cc1)=C/CO.
What is the InChIKey of (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol?
The InChIKey is QLDCDUIXNXNXRB-NTMALXAHSA-N. The full InChI is InChI=1S/C12H11FO/c1-10(8-9-14)2-3-11-4-6-12(13)7-5-11/h4-8,14H,9H2,1H3/b10-8-.
What are the key properties of (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol?
(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol has a molecular weight of 190.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 22730943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).