(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol

C16H24N2O2 — CID 157288625

IUPAC(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol
SMILESCc1[nH]nc2cccc(OC[C@@H](O)CCC(C)(C)C)c12
InChIInChI=1S/C16H24N2O2/c1-11-15-13(18-17-11)6-5-7-14(15)20-10-12(19)8-9-16(2,3)4/h5-7,12,19H,8-10H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyYHNIDGVFUJSHHR-LBPRGKRZSA-N
MW276.38 g/mol
LogP3.44
Rot. Bonds5

About (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol

(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol (PubChem CID 157288625) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol
PubChem CID157288625
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol
SMILESCc1[nH]nc2cccc(OC[C@@H](O)CCC(C)(C)C)c12
InChIInChI=1S/C16H24N2O2/c1-11-15-13(18-17-11)6-5-7-14(15)20-10-12(19)8-9-16(2,3)4/h5-7,12,19H,8-10H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyYHNIDGVFUJSHHR-LBPRGKRZSA-N
XLogP3.44
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021525
(2S)-1-[1-(2-methoxyphenyl)propan-2-ylamino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 154607477
1-(3-ethylazetidin-1-yl)-4-[[(2S)-2-hydroxy-3-[(3-methyl-2H-indazol-4-yl)oxy]propyl]amino]butan-1-one
CID 159024574
tert-butyl-dimethyl-[(3-methyl-2H-indazol-4-yl)oxy]silane
CID 10515648
5-(2-hydroxy-5,5-dimethylhexoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 76832054
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-[(3-propyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021583
6-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-4-yl]oxy]hexan-3-ol
CID 158380064
1-(4-methyl-2H-indazol-3-yl)ethanol
CID 133059500
[3-[[3-(2-amino-2-oxoethyl)-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium chloride
CID 44661820
3-methyl-4-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784139
tert-butyl-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 25271750
1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3072982

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol?
The IUPAC name of (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol (CID 157288625) is (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol.
What is the SMILES notation for (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol?
The canonical SMILES for (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol is Cc1[nH]nc2cccc(OC[C@@H](O)CCC(C)(C)C)c12.
What is the InChIKey of (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol?
The InChIKey is YHNIDGVFUJSHHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-15-13(18-17-11)6-5-7-14(15)20-10-12(19)8-9-16(2,3)4/h5-7,12,19H,8-10H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol?
(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol is sourced from PubChem (CID 157288625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).