1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol

C18H28O — CID 91033479

IUPAC1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCc1c(O)ccc2c1CC(C(C)(C)C)C2C(C)(C)C
InChIInChI=1S/C18H28O/c1-11-13-10-14(17(2,3)4)16(18(5,6)7)12(13)8-9-15(11)19/h8-9,14,16,19H,10H2,1-7H3
InChIKeyNXUJDQUMRMUULH-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.05
Rot. Bonds

About 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol

1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 91033479) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID91033479
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCc1c(O)ccc2c1CC(C(C)(C)C)C2C(C)(C)C
InChIInChI=1S/C18H28O/c1-11-13-10-14(17(2,3)4)16(18(5,6)7)12(13)8-9-15(11)19/h8-9,14,16,19H,10H2,1-7H3
InChIKeyNXUJDQUMRMUULH-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol (CID 91033479) is 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol is Cc1c(O)ccc2c1CC(C(C)(C)C)C2C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NXUJDQUMRMUULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-11-13-10-14(17(2,3)4)16(18(5,6)7)12(13)8-9-15(11)19/h8-9,14,16,19H,10H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol?
1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 260.42 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 91033479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).