(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane

C23H29ClOS — CID 144607670

IUPAC(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)CC(C)=C2S(C)(C)Cl
InChIInChI=1S/C23H29ClOS/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-12,14H,13H2,1-7H3
InChIKeyTYQUUGIITBLQFT-UHFFFAOYSA-N
MW389.00 g/mol
LogP7.16
Rot. Bonds3

About (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane

(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane (PubChem CID 144607670) has the molecular formula C23H29ClOS and a molecular weight of 389.00 g/mol. Its IUPAC name is (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane
PubChem CID144607670
Molecular FormulaC23H29ClOS
Molecular Weight389.00 g/mol
Exact Mass388.16
IUPAC Name(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)CC(C)=C2S(C)(C)Cl
InChIInChI=1S/C23H29ClOS/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-12,14H,13H2,1-7H3
InChIKeyTYQUUGIITBLQFT-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.00
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3-dihydro-1H-indene;dichlorozirconium
CID 175061858
6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
CID 144649279
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)benzene
CID 101253495
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
CID 71231037
CID 151455776
CID 151455776
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
6-tert-butyl-4-(4-tert-butylphenyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 71230812
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-methoxyphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-methoxyphenyl)benzene
CID 101253493
2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
CID 176866137
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
CID 71231056
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane?
The IUPAC name of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane (CID 144607670) is (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane.
What is the SMILES notation for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane?
The canonical SMILES for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane is COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)CC(C)=C2S(C)(C)Cl.
What is the InChIKey of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane?
The InChIKey is TYQUUGIITBLQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClOS/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-12,14H,13H2,1-7H3.
What are the key properties of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane?
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane has a molecular weight of 389.00 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane is sourced from PubChem (CID 144607670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).