4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol

C23H40O5 — CID 10960272

IUPAC4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
SMILESCCCCCCCCCCOc1ccc(OCC(O)COCCCCO)cc1
InChIInChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-10-18-27-22-12-14-23(15-13-22)28-20-21(25)19-26-17-11-9-16-24/h12-15,21,24-25H,2-11,16-20H2,1H3
InChIKeyUIDHPEQDCMQOPO-UHFFFAOYSA-N
MW396.57 g/mol
LogP4.73
Rot. Bonds19

About 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol

4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol (PubChem CID 10960272) has the molecular formula C23H40O5 and a molecular weight of 396.57 g/mol. Its IUPAC name is 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
PubChem CID10960272
Molecular FormulaC23H40O5
Molecular Weight396.57 g/mol
Exact Mass396.29
IUPAC Name4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
SMILESCCCCCCCCCCOc1ccc(OCC(O)COCCCCO)cc1
InChIInChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-10-18-27-22-12-14-23(15-13-22)28-20-21(25)19-26-17-11-9-16-24/h12-15,21,24-25H,2-11,16-20H2,1H3
InChIKeyUIDHPEQDCMQOPO-UHFFFAOYSA-N
XLogP4.73
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1,3-bis[4-[(4-decoxyphenyl)diazenyl]phenoxy]propan-2-ol
CID 101214976
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
1-octoxy-3-[4-(oxan-4-yl)phenoxy]propan-2-ol
CID 20648308
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
1-butoxy-3-[4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 107262271
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol?
The IUPAC name of 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol (CID 10960272) is 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol.
What is the SMILES notation for 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol?
The canonical SMILES for 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol is CCCCCCCCCCOc1ccc(OCC(O)COCCCCO)cc1.
What is the InChIKey of 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol?
The InChIKey is UIDHPEQDCMQOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-10-18-27-22-12-14-23(15-13-22)28-20-21(25)19-26-17-11-9-16-24/h12-15,21,24-25H,2-11,16-20H2,1H3.
What are the key properties of 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol?
4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol has a molecular weight of 396.57 g/mol, XLogP of 4.73, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol is sourced from PubChem (CID 10960272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).