2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol

C15H24O2 — CID 129085390

IUPAC2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
SMILESCCCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C15H24O2/c1-6-7-11-8-12(14(2,3)16)10-13(9-11)15(4,5)17/h8-10,16-17H,6-7H2,1-5H3
InChIKeyMWAIDUGMFDIKLR-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol

2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol (PubChem CID 129085390) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
PubChem CID129085390
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
SMILESCCCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C15H24O2/c1-6-7-11-8-12(14(2,3)16)10-13(9-11)15(4,5)17/h8-10,16-17H,6-7H2,1-5H3
InChIKeyMWAIDUGMFDIKLR-UHFFFAOYSA-N
XLogP3.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 146269671
2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 129085399
1-propyl-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 140993101
2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 59095277
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 59095341
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
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-methylphenyl]propan-2-ol
CID 59095256
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-(3-propylphenyl)pentan-3-ol
CID 116542305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol (CID 129085390) is 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol is CCCc1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol?
The InChIKey is MWAIDUGMFDIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-7-11-8-12(14(2,3)16)10-13(9-11)15(4,5)17/h8-10,16-17H,6-7H2,1-5H3.
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol?
2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol is sourced from PubChem (CID 129085390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).