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

C15H22O2 — CID 114195093

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22O2/c1-11(10-17-2)8-15(16)14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15-16H,3-5,8,10H2,1-2H3
InChIKeyQPLZTRSQLOFREE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol (PubChem CID 114195093) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
PubChem CID114195093
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22O2/c1-11(10-17-2)8-15(16)14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15-16H,3-5,8,10H2,1-2H3
InChIKeyQPLZTRSQLOFREE-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
CID 105101654
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
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)-4,4-dimethylpentan-1-ol
CID 115791341
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol (CID 114195093) is 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol is COCC(C)CC(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is QPLZTRSQLOFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(10-17-2)8-15(16)14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15-16H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol?
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.88, 5 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)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 114195093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).