1-(3-chloro-4-fluorophenyl)nonan-1-ol

C15H22ClFO — CID 63414052

IUPAC1-(3-chloro-4-fluorophenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFO/c1-2-3-4-5-6-7-8-15(18)12-9-10-14(17)13(16)11-12/h9-11,15,18H,2-8H2,1H3
InChIKeyZBKQOROBKKCKAX-UHFFFAOYSA-N
MW272.79 g/mol
LogP5.26
Rot. Bonds8

About 1-(3-chloro-4-fluorophenyl)nonan-1-ol

1-(3-chloro-4-fluorophenyl)nonan-1-ol (PubChem CID 63414052) has the molecular formula C15H22ClFO and a molecular weight of 272.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)nonan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)nonan-1-ol
PubChem CID63414052
Molecular FormulaC15H22ClFO
Molecular Weight272.79 g/mol
Exact Mass272.13
IUPAC Name1-(3-chloro-4-fluorophenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFO/c1-2-3-4-5-6-7-8-15(18)12-9-10-14(17)13(16)11-12/h9-11,15,18H,2-8H2,1H3
InChIKeyZBKQOROBKKCKAX-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(3-chloro-4-fluorophenyl)decylhydrazine
CID 105218123
1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)nonan-1-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)nonan-1-ol (CID 63414052) is 1-(3-chloro-4-fluorophenyl)nonan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)nonan-1-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)nonan-1-ol is CCCCCCCCC(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)nonan-1-ol?
The InChIKey is ZBKQOROBKKCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFO/c1-2-3-4-5-6-7-8-15(18)12-9-10-14(17)13(16)11-12/h9-11,15,18H,2-8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)nonan-1-ol?
1-(3-chloro-4-fluorophenyl)nonan-1-ol has a molecular weight of 272.79 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)nonan-1-ol is sourced from PubChem (CID 63414052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).