[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate

C17H18O3 — CID 139518674

IUPAC[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate
SMILESCc1ccc(-c2ccc(OC(=O)CCCO)cc2)cc1
InChIInChI=1S/C17H18O3/c1-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-17(19)3-2-12-18/h4-11,18H,2-3,12H2,1H3
InChIKeyUAZRPRCJAIAYQI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds5

About [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate

[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate (PubChem CID 139518674) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate
PubChem CID139518674
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate
SMILESCc1ccc(-c2ccc(OC(=O)CCCO)cc2)cc1
InChIInChI=1S/C17H18O3/c1-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-17(19)3-2-12-18/h4-11,18H,2-3,12H2,1H3
InChIKeyUAZRPRCJAIAYQI-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylphenyl) hexanedioate
CID 521615
bis(4-methylphenyl) butanedioate
CID 14740597
[4-(4-methylphenyl)phenyl] 4-oxobutanoate
CID 142352352
[4-(4-octanoyloxyphenyl)phenyl] octanoate
CID 100963923
[4-(4-heptanoyloxyphenyl)phenyl] heptanoate
CID 100963922
(4-methylphenyl) 3-ethylsulfanylpropanoate
CID 78886480
(4-tert-butylphenyl) 5-hydroxypentanoate
CID 585273
(4-bromophenyl) 4-(4-methylphenoxy)butanoate
CID 19184274
[4-[3-hydroxy-5-[4-(3-hydroxypropanoyloxy)phenyl]phenyl]phenyl] 3-hydroxypropanoate
CID 86707588
4-hydroxybutyl (4-methylphenyl) carbonate
CID 126720991
[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 1184334
(4-methylphenyl) 2-methoxyacetate
CID 142940402

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate (CID 139518674) is [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate is Cc1ccc(-c2ccc(OC(=O)CCCO)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate?
The InChIKey is UAZRPRCJAIAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-17(19)3-2-12-18/h4-11,18H,2-3,12H2,1H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate?
[4-(4-methylphenyl)phenyl] 4-hydroxybutanoate has a molecular weight of 270.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 4-hydroxybutanoate is sourced from PubChem (CID 139518674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).