1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

C15H11Cl3F2O — CID 65146594

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3F2O/c1-15(21,7-8-2-3-9(19)4-11(8)16)10-5-14(20)13(18)6-12(10)17/h2-6,21H,7H2,1H3
InChIKeyNKLWRVKBCFLLGC-UHFFFAOYSA-N
MW351.61 g/mol
LogP5.38
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (PubChem CID 65146594) has the molecular formula C15H11Cl3F2O and a molecular weight of 351.61 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
PubChem CID65146594
Molecular FormulaC15H11Cl3F2O
Molecular Weight351.61 g/mol
Exact Mass349.98
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3F2O/c1-15(21,7-8-2-3-9(19)4-11(8)16)10-5-14(20)13(18)6-12(10)17/h2-6,21H,7H2,1H3
InChIKeyNKLWRVKBCFLLGC-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
2-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
1-(2-chloro-4-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910605
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (CID 65146594) is 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is CC(O)(Cc1ccc(F)cc1Cl)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The InChIKey is NKLWRVKBCFLLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3F2O/c1-15(21,7-8-2-3-9(19)4-11(8)16)10-5-14(20)13(18)6-12(10)17/h2-6,21H,7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol has a molecular weight of 351.61 g/mol, XLogP of 5.38, 3 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)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65146594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).