1,3,3-trimethyl-2H-inden-1-ol

C12H16O — CID 121006931

IUPAC1,3,3-trimethyl-2H-inden-1-ol
SMILESCC1(C)CC(C)(O)c2ccccc21
InChIInChI=1S/C12H16O/c1-11(2)8-12(3,13)10-7-5-4-6-9(10)11/h4-7,13H,8H2,1-3H3
InChIKeyFLAKZWVMHBMEOC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.58
Rot. Bonds

About 1,3,3-trimethyl-2H-inden-1-ol

1,3,3-trimethyl-2H-inden-1-ol (PubChem CID 121006931) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-2H-inden-1-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2H-inden-1-ol
PubChem CID121006931
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,3,3-trimethyl-2H-inden-1-ol
SMILESCC1(C)CC(C)(O)c2ccccc21
InChIInChI=1S/C12H16O/c1-11(2)8-12(3,13)10-7-5-4-6-9(10)11/h4-7,13H,8H2,1-3H3
InChIKeyFLAKZWVMHBMEOC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
CID 621575
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
CID 144746927
1-butan-2-yl-1,3,3-trimethyl-2H-indene
CID 163889773
22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene-1,8,15-triol
CID 14974881
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
CID 155775564
(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate
CID 129105697
(2S)-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
CID 7103216
methane;9-methylfluoren-9-ol
CID 160708378
(1S,14S,16R,19R)-16,19-dimethyl-15,18-dioxapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-diol
CID 102180606

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2H-inden-1-ol?
The IUPAC name of 1,3,3-trimethyl-2H-inden-1-ol (CID 121006931) is 1,3,3-trimethyl-2H-inden-1-ol.
What is the SMILES notation for 1,3,3-trimethyl-2H-inden-1-ol?
The canonical SMILES for 1,3,3-trimethyl-2H-inden-1-ol is CC1(C)CC(C)(O)c2ccccc21.
What is the InChIKey of 1,3,3-trimethyl-2H-inden-1-ol?
The InChIKey is FLAKZWVMHBMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-11(2)8-12(3,13)10-7-5-4-6-9(10)11/h4-7,13H,8H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2H-inden-1-ol?
1,3,3-trimethyl-2H-inden-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.58, 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-2H-inden-1-ol is sourced from PubChem (CID 121006931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).