3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol

C13H18O2 — CID 63820639

IUPAC3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCCOc1ccc2c(c1)C(O)CC2C
InChIInChI=1S/C13H18O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9,13-14H,3,6-7H2,1-2H3
InChIKeyUKGGDIGSIRBVIX-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.02
Rot. Bonds3

About 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol

3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 63820639) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID63820639
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
SMILESCCCOc1ccc2c(c1)C(O)CC2C
InChIInChI=1S/C13H18O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9,13-14H,3,6-7H2,1-2H3
InChIKeyUKGGDIGSIRBVIX-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394
3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417778
3-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-inden-1-ol
CID 63823202
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 138040626
1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62496450
7-ethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885777
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
8-butoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 130306818
(8S,9S,13S,14S,17S)-3-propoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 139025180
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol (CID 63820639) is 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol is CCCOc1ccc2c(c1)C(O)CC2C.
What is the InChIKey of 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UKGGDIGSIRBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9,13-14H,3,6-7H2,1-2H3.
What are the key properties of 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol?
3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63820639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).