(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol

C14H21ClO — CID 25324257

IUPAC(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc([C@@H](O)CCl)c(C(C)C)c1
InChIInChI=1S/C14H21ClO/c1-9(2)11-5-6-12(14(16)8-15)13(7-11)10(3)4/h5-7,9-10,14,16H,8H2,1-4H3/t14-/m0/s1
InChIKeyXRKKVEHJRHTTGS-AWEZNQCLSA-N
MW240.77 g/mol
LogP4.21
Rot. Bonds4

About (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol

(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol (PubChem CID 25324257) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
PubChem CID25324257
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc([C@@H](O)CCl)c(C(C)C)c1
InChIInChI=1S/C14H21ClO/c1-9(2)11-5-6-12(14(16)8-15)13(7-11)10(3)4/h5-7,9-10,14,16H,8H2,1-4H3/t14-/m0/s1
InChIKeyXRKKVEHJRHTTGS-AWEZNQCLSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.21
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

1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
2,4-di(propan-2-yl)phenol
CID 18048
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
CID 82990050

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol (CID 25324257) is (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol is CC(C)c1ccc([C@@H](O)CCl)c(C(C)C)c1.
What is the InChIKey of (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The InChIKey is XRKKVEHJRHTTGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21ClO/c1-9(2)11-5-6-12(14(16)8-15)13(7-11)10(3)4/h5-7,9-10,14,16H,8H2,1-4H3/t14-/m0/s1.
What are the key properties of (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol?
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol has a molecular weight of 240.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 25324257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).