1-chloro-4,4,4-triphenylbutan-2-ol

C22H21ClO — CID 174658111

IUPAC1-chloro-4,4,4-triphenylbutan-2-ol
SMILESOC(CCl)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClO/c23-17-21(24)16-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17H2
InChIKeyUADARFWIHILCAQ-UHFFFAOYSA-N
MW336.86 g/mol
LogP5.01
Rot. Bonds6

About 1-chloro-4,4,4-triphenylbutan-2-ol

1-chloro-4,4,4-triphenylbutan-2-ol (PubChem CID 174658111) has the molecular formula C22H21ClO and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-chloro-4,4,4-triphenylbutan-2-ol.

Molecular Properties

Compound Name1-chloro-4,4,4-triphenylbutan-2-ol
PubChem CID174658111
Molecular FormulaC22H21ClO
Molecular Weight336.86 g/mol
Exact Mass336.13
IUPAC Name1-chloro-4,4,4-triphenylbutan-2-ol
SMILESOC(CCl)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClO/c23-17-21(24)16-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17H2
InChIKeyUADARFWIHILCAQ-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.86
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,4,4-triphenylbutan-2-ol?
The IUPAC name of 1-chloro-4,4,4-triphenylbutan-2-ol (CID 174658111) is 1-chloro-4,4,4-triphenylbutan-2-ol.
What is the SMILES notation for 1-chloro-4,4,4-triphenylbutan-2-ol?
The canonical SMILES for 1-chloro-4,4,4-triphenylbutan-2-ol is OC(CCl)CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-4,4,4-triphenylbutan-2-ol?
The InChIKey is UADARFWIHILCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClO/c23-17-21(24)16-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17H2.
What are the key properties of 1-chloro-4,4,4-triphenylbutan-2-ol?
1-chloro-4,4,4-triphenylbutan-2-ol has a molecular weight of 336.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,4,4-triphenylbutan-2-ol is sourced from PubChem (CID 174658111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).