(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol

C13H18O — CID 138978133

IUPAC(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
SMILESCC(C)C[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C13H18O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyXPAPGMZPPYTFPI-ZDUSSCGKSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds2

About (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol

(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol (PubChem CID 138978133) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
PubChem CID138978133
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
SMILESCC(C)C[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C13H18O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyXPAPGMZPPYTFPI-ZDUSSCGKSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
7-(2-methylpropyl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 90293921
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol?
The IUPAC name of (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol (CID 138978133) is (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol is CC(C)C[C@@]1(O)CCc2ccccc21.
What is the InChIKey of (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol?
The InChIKey is XPAPGMZPPYTFPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol?
(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 138978133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).