1,3,3-trimethyl-1,2-dihydroinden-5-ol

C12H16O — CID 18183555

IUPAC1,3,3-trimethyl-1,2-dihydroinden-5-ol
SMILESCC1CC(C)(C)c2cc(O)ccc21
InChIInChI=1S/C12H16O/c1-8-7-12(2,3)11-6-9(13)4-5-10(8)11/h4-6,8,13H,7H2,1-3H3
InChIKeyPSHNLMYOXOIELT-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.18
Rot. Bonds

About 1,3,3-trimethyl-1,2-dihydroinden-5-ol

1,3,3-trimethyl-1,2-dihydroinden-5-ol (PubChem CID 18183555) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-1,2-dihydroinden-5-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-1,2-dihydroinden-5-ol
PubChem CID18183555
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,3,3-trimethyl-1,2-dihydroinden-5-ol
SMILESCC1CC(C)(C)c2cc(O)ccc21
InChIInChI=1S/C12H16O/c1-8-7-12(2,3)11-6-9(13)4-5-10(8)11/h4-6,8,13H,7H2,1-3H3
InChIKeyPSHNLMYOXOIELT-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-tetramethyl-1,3-dihydroisoquinolin-6-ol
CID 82278489
(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
CID 101072339
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
1-methyl-2'-methylidenespiro[1,2-dihydroindene-3,3'-1H-indene]-5'-ol
CID 142825914
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
CID 58380254
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
CID 142016467
6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
CID 142273964
(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
CID 142380825
8-amino-5-methyl-5,6-dihydronaphthalen-2-ol
CID 163433999
1,1,3,3-tetramethyl-2H-indol-1-ium-5-ol
CID 20504441

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-1,2-dihydroinden-5-ol?
The IUPAC name of 1,3,3-trimethyl-1,2-dihydroinden-5-ol (CID 18183555) is 1,3,3-trimethyl-1,2-dihydroinden-5-ol.
What is the SMILES notation for 1,3,3-trimethyl-1,2-dihydroinden-5-ol?
The canonical SMILES for 1,3,3-trimethyl-1,2-dihydroinden-5-ol is CC1CC(C)(C)c2cc(O)ccc21.
What is the InChIKey of 1,3,3-trimethyl-1,2-dihydroinden-5-ol?
The InChIKey is PSHNLMYOXOIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-7-12(2,3)11-6-9(13)4-5-10(8)11/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-1,2-dihydroinden-5-ol?
1,3,3-trimethyl-1,2-dihydroinden-5-ol has a molecular weight of 176.26 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-1,2-dihydroinden-5-ol is sourced from PubChem (CID 18183555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).