2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol

C22H30O2 — CID 129085386

IUPAC2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCCCc2ccc(C(C)(C)O)cc2)cc1
InChIInChI=1S/C22H30O2/c1-21(2,23)19-13-9-17(10-14-19)7-5-6-8-18-11-15-20(16-12-18)22(3,4)24/h9-16,23-24H,5-8H2,1-4H3
InChIKeyDRNMWPUTSGSGRM-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.71
Rot. Bonds7

About 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol

2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol (PubChem CID 129085386) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
PubChem CID129085386
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCCCc2ccc(C(C)(C)O)cc2)cc1
InChIInChI=1S/C22H30O2/c1-21(2,23)19-13-9-17(10-14-19)7-5-6-8-18-11-15-20(16-12-18)22(3,4)24/h9-16,23-24H,5-8H2,1-4H3
InChIKeyDRNMWPUTSGSGRM-UHFFFAOYSA-N
XLogP4.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol
CID 117113885
6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
1-tert-butyl-4-undecylbenzene
CID 162402478
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
2-[4-(pyridin-4-ylmethyl)phenyl]propan-2-ol
CID 90901602
1-[4-(4-aminobutyl)phenyl]-2-methylpropan-2-ol
CID 117115615
4-(4-tert-butylphenyl)butanamide
CID 20619639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol (CID 129085386) is 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(CCCCc2ccc(C(C)(C)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol?
The InChIKey is DRNMWPUTSGSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-21(2,23)19-13-9-17(10-14-19)7-5-6-8-18-11-15-20(16-12-18)22(3,4)24/h9-16,23-24H,5-8H2,1-4H3.
What are the key properties of 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol?
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol has a molecular weight of 326.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol is sourced from PubChem (CID 129085386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).