4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate

C23H30O4 — CID 143948784

IUPAC4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate
SMILESCC(O)CC(=O)OCCCCOc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30O4/c1-17(2)19-6-8-20(9-7-19)21-10-12-22(13-11-21)26-14-4-5-15-27-23(25)16-18(3)24/h6-13,17-18,24H,4-5,14-16H2,1-3H3
InChIKeyCGHJOLPIKBPBRH-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds10

About 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate

4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate (PubChem CID 143948784) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate.

Molecular Properties

Compound Name4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate
PubChem CID143948784
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate
SMILESCC(O)CC(=O)OCCCCOc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30O4/c1-17(2)19-6-8-20(9-7-19)21-10-12-22(13-11-21)26-14-4-5-15-27-23(25)16-18(3)24/h6-13,17-18,24H,4-5,14-16H2,1-3H3
InChIKeyCGHJOLPIKBPBRH-UHFFFAOYSA-N
XLogP4.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
1-O-octyl 10-O-(4-propan-2-ylphenyl) decanedioate
CID 91715578
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
1-[4-(4-pentoxyphenyl)phenyl]ethyl dodecanoate
CID 139693483
1-[4-(4-tridecoxyphenyl)phenyl]ethyl undecanoate
CID 139693507
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790
1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate
CID 14323892
dodecyl 3-hydroxybutanoate
CID 18955122

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate?
The IUPAC name of 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate (CID 143948784) is 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate.
What is the SMILES notation for 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate?
The canonical SMILES for 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate is CC(O)CC(=O)OCCCCOc1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate?
The InChIKey is CGHJOLPIKBPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-17(2)19-6-8-20(9-7-19)21-10-12-22(13-11-21)26-14-4-5-15-27-23(25)16-18(3)24/h6-13,17-18,24H,4-5,14-16H2,1-3H3.
What are the key properties of 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate?
4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate has a molecular weight of 370.49 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-ylphenyl)phenoxy]butyl 3-hydroxybutanoate is sourced from PubChem (CID 143948784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).