(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol

C14H20O2 — CID 79014174

IUPAC(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc2c(c(C(C)(C)C)c1)OCC[C@@H]2O
InChIInChI=1S/C14H20O2/c1-9-7-10-12(15)5-6-16-13(10)11(8-9)14(2,3)4/h7-8,12,15H,5-6H2,1-4H3/t12-/m0/s1
InChIKeySGSLNFKBUQXBHL-LBPRGKRZSA-N
MW220.31 g/mol
LogP3.11
Rot. Bonds

About (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 79014174) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID79014174
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc2c(c(C(C)(C)C)c1)OCC[C@@H]2O
InChIInChI=1S/C14H20O2/c1-9-7-10-12(15)5-6-16-13(10)11(8-9)14(2,3)4/h7-8,12,15H,5-6H2,1-4H3/t12-/m0/s1
InChIKeySGSLNFKBUQXBHL-LBPRGKRZSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-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 (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 79014174) is (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1cc2c(c(C(C)(C)C)c1)OCC[C@@H]2O.
What is the InChIKey of (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SGSLNFKBUQXBHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-7-10-12(15)5-6-16-13(10)11(8-9)14(2,3)4/h7-8,12,15H,5-6H2,1-4H3/t12-/m0/s1.
What are the key properties of (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 220.31 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 79014174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).