1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol

C16H24O2 — CID 105101654

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24O2/c1-12(11-18-2)8-16(17)10-13-6-7-14-4-3-5-15(14)9-13/h6-7,9,12,16-17H,3-5,8,10-11H2,1-2H3
InChIKeyLLLWYDOXUPXCJA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.75
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol

1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol (PubChem CID 105101654) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
PubChem CID105101654
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24O2/c1-12(11-18-2)8-16(17)10-13-6-7-14-4-3-5-15(14)9-13/h6-7,9,12,16-17H,3-5,8,10-11H2,1-2H3
InChIKeyLLLWYDOXUPXCJA-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105152389
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 65136751
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
CID 66033857

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol (CID 105101654) is 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol is COCC(C)CC(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol?
The InChIKey is LLLWYDOXUPXCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(11-18-2)8-16(17)10-13-6-7-14-4-3-5-15(14)9-13/h6-7,9,12,16-17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol?
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 105101654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).