2,2-dimethyl-1,3-dihydroinden-1-ol;ethane

C15H26O — CID 162431044

IUPAC2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
SMILESCC.CC.CC1(C)Cc2ccccc2C1O
InChIInChI=1S/C11H14O.2C2H6/c1-11(2)7-8-5-3-4-6-9(8)10(11)12;2*1-2/h3-6,10,12H,7H2,1-2H3;2*1-2H3
InChIKeyZSHDGKIKSHXUAW-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds

About 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane

2,2-dimethyl-1,3-dihydroinden-1-ol;ethane (PubChem CID 162431044) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
PubChem CID162431044
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
SMILESCC.CC.CC1(C)Cc2ccccc2C1O
InChIInChI=1S/C11H14O.2C2H6/c1-11(2)7-8-5-3-4-6-9(8)10(11)12;2*1-2/h3-6,10,12H,7H2,1-2H3;2*1-2H3
InChIKeyZSHDGKIKSHXUAW-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane 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

spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 22349568
(1aS,7bR)-2,2-dimethyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
CID 11062908
(1R)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 132506381
6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 10035482
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
CID 102018706
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane?
The IUPAC name of 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane (CID 162431044) is 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane is CC.CC.CC1(C)Cc2ccccc2C1O.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane?
The InChIKey is ZSHDGKIKSHXUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.2C2H6/c1-11(2)7-8-5-3-4-6-9(8)10(11)12;2*1-2/h3-6,10,12H,7H2,1-2H3;2*1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane?
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane has a molecular weight of 222.37 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroinden-1-ol;ethane is sourced from PubChem (CID 162431044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).