(4-hydroxyphenyl) 4-phenylbutanoate

C16H16O3 — CID 66680445

IUPAC(4-hydroxyphenyl) 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C16H16O3/c17-14-9-11-15(12-10-14)19-16(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2
InChIKeyVPDCKYPRJYSDNS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.32
Rot. Bonds5

About (4-hydroxyphenyl) 4-phenylbutanoate

(4-hydroxyphenyl) 4-phenylbutanoate (PubChem CID 66680445) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-hydroxyphenyl) 4-phenylbutanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 4-phenylbutanoate
PubChem CID66680445
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4-hydroxyphenyl) 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C16H16O3/c17-14-9-11-15(12-10-14)19-16(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2
InChIKeyVPDCKYPRJYSDNS-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.32
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

phenyl 5-phenylpentanoate
CID 10944973
formic acid;phenyl 4-phenylbutanoate
CID 70492478
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
[4-[(E)-2-[3,5-bis(4-phenylbutanoyloxy)phenyl]ethenyl]phenyl] 4-phenylbutanoate
CID 137357041
CID 70464798
CID 70464798
5-[4-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]phenoxy]-5-oxopentanoic acid
CID 51352661
benzyl 4-phenylbutanoate
CID 11961623
[4-(4-oxo-4-phenylmethoxybutyl)phenyl] benzoate
CID 141435964
(3-amino-4-phenylmethoxyphenyl) 4-phenylbutanoate
CID 174428207
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
diphenyl nonanedioate
CID 18428919
[4-(5-sulfanylidenedithiol-3-yl)phenyl] 4-phenylbutanoate
CID 42642261

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 4-phenylbutanoate?
The IUPAC name of (4-hydroxyphenyl) 4-phenylbutanoate (CID 66680445) is (4-hydroxyphenyl) 4-phenylbutanoate.
What is the SMILES notation for (4-hydroxyphenyl) 4-phenylbutanoate?
The canonical SMILES for (4-hydroxyphenyl) 4-phenylbutanoate is O=C(CCCc1ccccc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 4-phenylbutanoate?
The InChIKey is VPDCKYPRJYSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14-9-11-15(12-10-14)19-16(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2.
What are the key properties of (4-hydroxyphenyl) 4-phenylbutanoate?
(4-hydroxyphenyl) 4-phenylbutanoate has a molecular weight of 256.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 4-phenylbutanoate is sourced from PubChem (CID 66680445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).