(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate

C25H24O4 — CID 141374619

IUPAC(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCCCCO)cc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H24O4/c26-18-6-7-19-28-22-15-12-20(13-16-22)14-17-25(27)29-24-11-5-4-10-23(24)21-8-2-1-3-9-21/h1-5,8-17,26H,6-7,18-19H2
InChIKeyLSXRJKMLJFRXKG-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.12
Rot. Bonds9

About (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate

(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate (PubChem CID 141374619) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
PubChem CID141374619
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCCCCO)cc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H24O4/c26-18-6-7-19-28-22-15-12-20(13-16-22)14-17-25(27)29-24-11-5-4-10-23(24)21-8-2-1-3-9-21/h1-5,8-17,26H,6-7,18-19H2
InChIKeyLSXRJKMLJFRXKG-UHFFFAOYSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
1,1'-biphenyl;3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
CID 175055126
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
CID 70144087
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
(4-butoxyphenyl) 3-(4-pentoxyphenyl)prop-2-enoate
CID 91291919
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
4-O-(2-phenylphenyl) 1-O-undecyl (E)-but-2-enedioate
CID 91725429
methyl (E)-3-[4-[4-(6-hydroxyhexoxy)benzoyl]phenyl]prop-2-enoate
CID 90399471
(2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731126
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate?
The IUPAC name of (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate (CID 141374619) is (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate.
What is the SMILES notation for (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate?
The canonical SMILES for (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate is O=C(C=Cc1ccc(OCCCCO)cc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate?
The InChIKey is LSXRJKMLJFRXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c26-18-6-7-19-28-22-15-12-20(13-16-22)14-17-25(27)29-24-11-5-4-10-23(24)21-8-2-1-3-9-21/h1-5,8-17,26H,6-7,18-19H2.
What are the key properties of (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate?
(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 141374619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).