1,3-bis(4-butylphenoxy)propan-2-ol

C23H32O3 — CID 142296403

IUPAC1,3-bis(4-butylphenoxy)propan-2-ol
SMILESCCCCc1ccc(OCC(O)COc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C23H32O3/c1-3-5-7-19-9-13-22(14-10-19)25-17-21(24)18-26-23-15-11-20(12-16-23)8-6-4-2/h9-16,21,24H,3-8,17-18H2,1-2H3
InChIKeyWTDDHACMIIGDIP-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.19
Rot. Bonds12

About 1,3-bis(4-butylphenoxy)propan-2-ol

1,3-bis(4-butylphenoxy)propan-2-ol (PubChem CID 142296403) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,3-bis(4-butylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4-butylphenoxy)propan-2-ol
PubChem CID142296403
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name1,3-bis(4-butylphenoxy)propan-2-ol
SMILESCCCCc1ccc(OCC(O)COc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C23H32O3/c1-3-5-7-19-9-13-22(14-10-19)25-17-21(24)18-26-23-15-11-20(12-16-23)8-6-4-2/h9-16,21,24H,3-8,17-18H2,1-2H3
InChIKeyWTDDHACMIIGDIP-UHFFFAOYSA-N
XLogP5.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-(4-octylphenoxy)propan-2-ol
CID 68605102
[3-(4-hexylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139601199
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(4-nonylphenoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 102126517
1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol
CID 147897261

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-butylphenoxy)propan-2-ol?
The IUPAC name of 1,3-bis(4-butylphenoxy)propan-2-ol (CID 142296403) is 1,3-bis(4-butylphenoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(4-butylphenoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(4-butylphenoxy)propan-2-ol is CCCCc1ccc(OCC(O)COc2ccc(CCCC)cc2)cc1.
What is the InChIKey of 1,3-bis(4-butylphenoxy)propan-2-ol?
The InChIKey is WTDDHACMIIGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-3-5-7-19-9-13-22(14-10-19)25-17-21(24)18-26-23-15-11-20(12-16-23)8-6-4-2/h9-16,21,24H,3-8,17-18H2,1-2H3.
What are the key properties of 1,3-bis(4-butylphenoxy)propan-2-ol?
1,3-bis(4-butylphenoxy)propan-2-ol has a molecular weight of 356.51 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-butylphenoxy)propan-2-ol is sourced from PubChem (CID 142296403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).