1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

C15H12Cl3FO — CID 63407265

IUPAC1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3FO/c1-15(20,8-9-3-2-4-10(16)5-9)11-6-14(19)13(18)7-12(11)17/h2-7,20H,8H2,1H3
InChIKeyHZPCQELXXFKWOT-UHFFFAOYSA-N
MW333.62 g/mol
LogP5.24
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (PubChem CID 63407265) has the molecular formula C15H12Cl3FO and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
PubChem CID63407265
Molecular FormulaC15H12Cl3FO
Molecular Weight333.62 g/mol
Exact Mass331.99
IUPAC Name1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3FO/c1-15(20,8-9-3-2-4-10(16)5-9)11-6-14(19)13(18)7-12(11)17/h2-7,20H,8H2,1H3
InChIKeyHZPCQELXXFKWOT-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.24
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-(4-ethylphenyl)propan-2-ol
CID 63407051
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
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
1-chloro-2-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 68777487
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
4-[1-(3-chlorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481532

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (CID 63407265) is 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is CC(O)(Cc1cccc(Cl)c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The InChIKey is HZPCQELXXFKWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FO/c1-15(20,8-9-3-2-4-10(16)5-9)11-6-14(19)13(18)7-12(11)17/h2-7,20H,8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol has a molecular weight of 333.62 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is sourced from PubChem (CID 63407265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).