(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol

C17H17ClFNO — CID 137298646

IUPAC(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol
SMILESCCCC/C(=C(\O)c1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C17H17ClFNO/c1-2-3-7-12(15-10-4-5-11-20-15)17(21)16-13(18)8-6-9-14(16)19/h4-6,8-11,21H,2-3,7H2,1H3/b17-12+
InChIKeyCAYAGBPHABONSX-SFQUDFHCSA-N
MW305.78 g/mol
LogP5.49
Rot. Bonds5

About (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol

(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol (PubChem CID 137298646) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol
PubChem CID137298646
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol
SMILESCCCC/C(=C(\O)c1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C17H17ClFNO/c1-2-3-7-12(15-10-4-5-11-20-15)17(21)16-13(18)8-6-9-14(16)19/h4-6,8-11,21H,2-3,7H2,1H3/b17-12+
InChIKeyCAYAGBPHABONSX-SFQUDFHCSA-N
XLogP5.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.78
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Parinol
CID 28768
Doxylamine alcohol
CID 86883
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CID 97719
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol
CID 2782995
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(1-methyl-1H-pyrrol-2-yl)-pentanenitrile
CID 10571296
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-2-yl-pentanenitrile
CID 10737864
(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11188910
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol?
The IUPAC name of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol (CID 137298646) is (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol.
What is the SMILES notation for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol?
The canonical SMILES for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol is CCCC/C(=C(\O)c1c(F)cccc1Cl)c1ccccn1.
What is the InChIKey of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol?
The InChIKey is CAYAGBPHABONSX-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-2-3-7-12(15-10-4-5-11-20-15)17(21)16-13(18)8-6-9-14(16)19/h4-6,8-11,21H,2-3,7H2,1H3/b17-12+.
What are the key properties of (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol?
(E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol has a molecular weight of 305.78 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylhex-1-en-1-ol is sourced from PubChem (CID 137298646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).