3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol

C16H26O2 — CID 123796144

IUPAC3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
SMILESCC(O)Cc1cccc(C(C)C)c1CC(C)CO
InChIInChI=1S/C16H26O2/c1-11(2)15-7-5-6-14(9-13(4)18)16(15)8-12(3)10-17/h5-7,11-13,17-18H,8-10H2,1-4H3
InChIKeyGGCRKWGFUPPYJA-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.90
Rot. Bonds6

About 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol

3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol (PubChem CID 123796144) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
PubChem CID123796144
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
SMILESCC(O)Cc1cccc(C(C)C)c1CC(C)CO
InChIInChI=1S/C16H26O2/c1-11(2)15-7-5-6-14(9-13(4)18)16(15)8-12(3)10-17/h5-7,11-13,17-18H,8-10H2,1-4H3
InChIKeyGGCRKWGFUPPYJA-UHFFFAOYSA-N
XLogP2.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
CID 130371455
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
1-[2,3-bis(methylsulfanyl)phenyl]propan-2-ol
CID 117329270
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene
CID 123346539
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
[2,6-di(propan-2-yl)phenyl]methoxymethanol
CID 143066004
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol (CID 123796144) is 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol is CC(O)Cc1cccc(C(C)C)c1CC(C)CO.
What is the InChIKey of 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol?
The InChIKey is GGCRKWGFUPPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-11(2)15-7-5-6-14(9-13(4)18)16(15)8-12(3)10-17/h5-7,11-13,17-18H,8-10H2,1-4H3.
What are the key properties of 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol?
3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 123796144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).