1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol

C15H22O2 — CID 114194360

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22O2/c1-3-14(17-4-2)15(16)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-16H,3-7H2,1-2H3
InChIKeyOTQSSPBYCGIUHK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol

1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol (PubChem CID 114194360) 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)-2-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
PubChem CID114194360
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22O2/c1-3-14(17-4-2)15(16)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-16H,3-7H2,1-2H3
InChIKeyOTQSSPBYCGIUHK-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(ethylamino)-4-hydroxybutanoate
CID 82348869
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2,3-dihydro-1H-inden-5-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66476377

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol (CID 114194360) is 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol is CCOC(CC)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol?
The InChIKey is OTQSSPBYCGIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-14(17-4-2)15(16)13-9-8-11-6-5-7-12(11)10-13/h8-10,14-16H,3-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol?
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.02, 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)-2-ethoxybutan-1-ol is sourced from PubChem (CID 114194360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).