3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol

C21H28O2 — CID 54337384

IUPAC3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
SMILESCC(C)(c1ccc(CCCO)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C21H28O2/c1-21(2,19-11-7-17(8-12-19)5-3-15-22)20-13-9-18(10-14-20)6-4-16-23/h7-14,22-23H,3-6,15-16H2,1-2H3
InChIKeyTWLJCLYNPARRGF-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.86
Rot. Bonds8

About 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol

3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol (PubChem CID 54337384) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
PubChem CID54337384
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
SMILESCC(C)(c1ccc(CCCO)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C21H28O2/c1-21(2,19-11-7-17(8-12-19)5-3-15-22)20-13-9-18(10-14-20)6-4-16-23/h7-14,22-23H,3-6,15-16H2,1-2H3
InChIKeyTWLJCLYNPARRGF-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
2-[4-(2,3,3-trimethylbutan-2-yl)phenyl]ethanol
CID 175167761
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol (CID 54337384) is 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol is CC(C)(c1ccc(CCCO)cc1)c1ccc(CCCO)cc1.
What is the InChIKey of 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol?
The InChIKey is TWLJCLYNPARRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-21(2,19-11-7-17(8-12-19)5-3-15-22)20-13-9-18(10-14-20)6-4-16-23/h7-14,22-23H,3-6,15-16H2,1-2H3.
What are the key properties of 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol?
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol has a molecular weight of 312.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol is sourced from PubChem (CID 54337384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).