2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol

C17H28O3 — CID 59095277

IUPAC2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(O)CC)c1
InChIInChI=1S/C17H28O3/c1-7-16(5,19)13-9-12(15(3,4)18)10-14(11-13)17(6,20)8-2/h9-11,18-20H,7-8H2,1-6H3
InChIKeyGWKWBMVCBLZJIS-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.15
Rot. Bonds5

About 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol

2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol (PubChem CID 59095277) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol
PubChem CID59095277
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(O)CC)c1
InChIInChI=1S/C17H28O3/c1-7-16(5,19)13-9-12(15(3,4)18)10-14(11-13)17(6,20)8-2/h9-11,18-20H,7-8H2,1-6H3
InChIKeyGWKWBMVCBLZJIS-UHFFFAOYSA-N
XLogP3.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 59095341
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 146269671
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
2-[3,5-bis(2-hydroxybutan-2-yl)-4-iodophenyl]butan-2-ol
CID 59095282
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
CID 129085390
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256
2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 129085399
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-[3-[3,5-bis(2-hydroxypropan-2-yl)phenoxy]-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 66722128

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The IUPAC name of 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol (CID 59095277) is 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The canonical SMILES for 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol is CCC(C)(O)c1cc(C(C)(C)O)cc(C(C)(O)CC)c1.
What is the InChIKey of 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
The InChIKey is GWKWBMVCBLZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-7-16(5,19)13-9-12(15(3,4)18)10-14(11-13)17(6,20)8-2/h9-11,18-20H,7-8H2,1-6H3.
What are the key properties of 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol?
2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol is sourced from PubChem (CID 59095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).