(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol

C14H19Cl3O — CID 125466999

IUPAC(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(C)C)c([C@@H](O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C14H19Cl3O/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(18)14(15,16)17/h5-9,13,18H,1-4H3/t13-/m1/s1
InChIKeyIARQJNXFADQBRX-CYBMUJFWSA-N
MW309.66 g/mol
LogP5.34
Rot. Bonds3

About (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol

(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol (PubChem CID 125466999) has the molecular formula C14H19Cl3O and a molecular weight of 309.66 g/mol. Its IUPAC name is (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
PubChem CID125466999
Molecular FormulaC14H19Cl3O
Molecular Weight309.66 g/mol
Exact Mass308.05
IUPAC Name(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(C)C)c([C@@H](O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C14H19Cl3O/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(18)14(15,16)17/h5-9,13,18H,1-4H3/t13-/m1/s1
InChIKeyIARQJNXFADQBRX-CYBMUJFWSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.66
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
2,4-di(propan-2-yl)phenol
CID 18048
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
CID 79660195
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
[2,5-di(propan-2-yl)phenyl]phosphane
CID 146386628

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol (CID 125466999) is (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol is CC(C)c1ccc(C(C)C)c([C@@H](O)C(Cl)(Cl)Cl)c1.
What is the InChIKey of (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol?
The InChIKey is IARQJNXFADQBRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19Cl3O/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(18)14(15,16)17/h5-9,13,18H,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol?
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol has a molecular weight of 309.66 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 125466999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).