1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol

C21H28O2 — CID 174900127

IUPAC1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(CC)c2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C21H28O2/c1-4-19(15-7-11-17(12-8-15)20(22)5-2)16-9-13-18(14-10-16)21(23)6-3/h7-14,19-23H,4-6H2,1-3H3
InChIKeyJJFTUVQARXYXBC-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.12
Rot. Bonds7

About 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol

1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol (PubChem CID 174900127) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
PubChem CID174900127
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(C(CC)c2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C21H28O2/c1-4-19(15-7-11-17(12-8-15)20(22)5-2)16-9-13-18(14-10-16)21(23)6-3/h7-14,19-23H,4-6H2,1-3H3
InChIKeyJJFTUVQARXYXBC-UHFFFAOYSA-N
XLogP5.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylpropan-1-ol;hydrate
CID 156782934
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
dichloromethane;1-phenylpropan-1-ol
CID 175142848
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
1-[4-(chloromethyl)phenyl]propan-1-ol
CID 18423117
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
4-(1-hydroxypropyl)benzamide
CID 118219631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol (CID 174900127) is 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol is CCC(O)c1ccc(C(CC)c2ccc(C(O)CC)cc2)cc1.
What is the InChIKey of 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol?
The InChIKey is JJFTUVQARXYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-4-19(15-7-11-17(12-8-15)20(22)5-2)16-9-13-18(14-10-16)21(23)6-3/h7-14,19-23H,4-6H2,1-3H3.
What are the key properties of 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol?
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol has a molecular weight of 312.45 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol is sourced from PubChem (CID 174900127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).