2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol

C12H18O — CID 140968985

IUPAC2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol
SMILESCC1=CC(C)CC2=C1C(O)C(C)C2
InChIInChI=1S/C12H18O/c1-7-4-8(2)11-10(5-7)6-9(3)12(11)13/h4,7,9,12-13H,5-6H2,1-3H3
InChIKeyCCSLYFJUIFHXAG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.67
Rot. Bonds

About 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol

2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol (PubChem CID 140968985) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol.

Molecular Properties

Compound Name2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol
PubChem CID140968985
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol
SMILESCC1=CC(C)CC2=C1C(O)C(C)C2
InChIInChI=1S/C12H18O/c1-7-4-8(2)11-10(5-7)6-9(3)12(11)13/h4,7,9,12-13H,5-6H2,1-3H3
InChIKeyCCSLYFJUIFHXAG-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1,3-dimethylcyclobutene
CID 58737300
1,3,4,5,6,7-hexamethyl-4,5,6,7-tetrahydro-1H-indene
CID 21256061
3,5-dimethylcyclohex-3-ene-1,2-diol
CID 85423702
3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene
CID 123233976
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 143620880
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate
CID 123523557
4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane
CID 143800900
2,4-dimethylcyclobut-2-en-1-ol
CID 173489444
(1R,2R)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 129411299
4-(2,4,6-trimethylcyclohexa-1,5-dien-1-yl)aniline
CID 166797333
(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 129411297

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol?
The IUPAC name of 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol (CID 140968985) is 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol.
What is the SMILES notation for 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol?
The canonical SMILES for 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol is CC1=CC(C)CC2=C1C(O)C(C)C2.
What is the InChIKey of 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol?
The InChIKey is CCSLYFJUIFHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-7-4-8(2)11-10(5-7)6-9(3)12(11)13/h4,7,9,12-13H,5-6H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol?
2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol is sourced from PubChem (CID 140968985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).