4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol

C25H34O2 — CID 126592068

IUPAC4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol
SMILESCCCC1CCc2c(-c3c(C)cc(OCCC(C)(C)O)cc3C)cccc21
InChIInChI=1S/C25H34O2/c1-6-8-19-11-12-22-21(19)9-7-10-23(22)24-17(2)15-20(16-18(24)3)27-14-13-25(4,5)26/h7,9-10,15-16,19,26H,6,8,11-14H2,1-5H3
InChIKeyIPPMPLGXTVDUPK-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.34
Rot. Bonds7

About 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol

4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol (PubChem CID 126592068) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol
PubChem CID126592068
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol
SMILESCCCC1CCc2c(-c3c(C)cc(OCCC(C)(C)O)cc3C)cccc21
InChIInChI=1S/C25H34O2/c1-6-8-19-11-12-22-21(19)9-7-10-23(22)24-17(2)15-20(16-18(24)3)27-14-13-25(4,5)26/h7,9-10,15-16,19,26H,6,8,11-14H2,1-5H3
InChIKeyIPPMPLGXTVDUPK-UHFFFAOYSA-N
XLogP6.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-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 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol (CID 126592068) is 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol is CCCC1CCc2c(-c3c(C)cc(OCCC(C)(C)O)cc3C)cccc21.
What is the InChIKey of 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is IPPMPLGXTVDUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-6-8-19-11-12-22-21(19)9-7-10-23(22)24-17(2)15-20(16-18(24)3)27-14-13-25(4,5)26/h7,9-10,15-16,19,26H,6,8,11-14H2,1-5H3.
What are the key properties of 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol?
4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 366.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 126592068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).