5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate

C21H24O2 — CID 171768668

IUPAC5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24O2/c1-17(2)21(22)23-16-10-4-7-13-19-14-8-9-15-20(19)18-11-5-3-6-12-18/h3,5-6,8-9,11-12,14-15H,1,4,7,10,13,16H2,2H3
InChIKeyVPCQFKFMKPAVFN-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.19
Rot. Bonds8

About 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate

5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate (PubChem CID 171768668) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
PubChem CID171768668
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C21H24O2/c1-17(2)21(22)23-16-10-4-7-13-19-14-8-9-15-20(19)18-11-5-3-6-12-18/h3,5-6,8-9,11-12,14-15H,1,4,7,10,13,16H2,2H3
InChIKeyVPCQFKFMKPAVFN-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
4-[5-[4-(2-methylprop-2-enoyloxy)butyl]-2-oxo-3-phenylchromen-7-yl]butyl 2-methylprop-2-enoate
CID 139472332
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
CID 175978198
CID 175978198
ethyl 2-[2-(2-phenylphenyl)ethoxy]prop-2-enoate
CID 175448062
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
(4-phenylphenyl) 6-(2-methylprop-2-enoyloxy)hexanoate
CID 171768260

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate (CID 171768668) is 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCc1ccccc1-c1ccccc1.
What is the InChIKey of 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate?
The InChIKey is VPCQFKFMKPAVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-17(2)21(22)23-16-10-4-7-13-19-14-8-9-15-20(19)18-11-5-3-6-12-18/h3,5-6,8-9,11-12,14-15H,1,4,7,10,13,16H2,2H3.
What are the key properties of 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate?
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate has a molecular weight of 308.42 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 171768668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).