1-(2-chloro-4-fluorophenyl)dodecan-2-ol

C18H28ClFO — CID 63410954

IUPAC1-(2-chloro-4-fluorophenyl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H28ClFO/c1-2-3-4-5-6-7-8-9-10-17(21)13-15-11-12-16(20)14-18(15)19/h11-12,14,17,21H,2-10,13H2,1H3
InChIKeyMHJVBORUBIVPOG-UHFFFAOYSA-N
MW314.87 g/mol
LogP5.91
Rot. Bonds11

About 1-(2-chloro-4-fluorophenyl)dodecan-2-ol

1-(2-chloro-4-fluorophenyl)dodecan-2-ol (PubChem CID 63410954) has the molecular formula C18H28ClFO and a molecular weight of 314.87 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)dodecan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)dodecan-2-ol
PubChem CID63410954
Molecular FormulaC18H28ClFO
Molecular Weight314.87 g/mol
Exact Mass314.18
IUPAC Name1-(2-chloro-4-fluorophenyl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H28ClFO/c1-2-3-4-5-6-7-8-9-10-17(21)13-15-11-12-16(20)14-18(15)19/h11-12,14,17,21H,2-10,13H2,1H3
InChIKeyMHJVBORUBIVPOG-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.87
LogP ≤ 55.91
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

1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)dodecan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)dodecan-2-ol (CID 63410954) is 1-(2-chloro-4-fluorophenyl)dodecan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)dodecan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)dodecan-2-ol is CCCCCCCCCCC(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)dodecan-2-ol?
The InChIKey is MHJVBORUBIVPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClFO/c1-2-3-4-5-6-7-8-9-10-17(21)13-15-11-12-16(20)14-18(15)19/h11-12,14,17,21H,2-10,13H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)dodecan-2-ol?
1-(2-chloro-4-fluorophenyl)dodecan-2-ol has a molecular weight of 314.87 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)dodecan-2-ol is sourced from PubChem (CID 63410954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).