4-(4-phenylphenyl)butyl prop-2-enoate

C19H20O2 — CID 171768287

IUPAC4-(4-phenylphenyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-19(20)21-15-7-6-8-16-11-13-18(14-12-16)17-9-4-3-5-10-17/h2-5,9-14H,1,6-8,15H2
InChIKeyYFQOSQSISQPRMK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.41
Rot. Bonds7

About 4-(4-phenylphenyl)butyl prop-2-enoate

4-(4-phenylphenyl)butyl prop-2-enoate (PubChem CID 171768287) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-phenylphenyl)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(4-phenylphenyl)butyl prop-2-enoate
PubChem CID171768287
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-(4-phenylphenyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-19(20)21-15-7-6-8-16-11-13-18(14-12-16)17-9-4-3-5-10-17/h2-5,9-14H,1,6-8,15H2
InChIKeyYFQOSQSISQPRMK-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.41
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

4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
3-[4-[4-(3-buta-1,3-dien-2-yloxypropyl)-N-(4-phenylphenyl)anilino]phenyl]propyl prop-2-enoate
CID 170284469
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
5-[4-[4-(4-but-1-en-2-ylphenyl)-2,3-diphenylnaphthalen-1-yl]phenyl]pentyl prop-2-enoate
CID 118934471
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
5-(4-phenylphenyl)sulfanylpentyl prop-2-enoate
CID 118222523
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)butyl prop-2-enoate?
The IUPAC name of 4-(4-phenylphenyl)butyl prop-2-enoate (CID 171768287) is 4-(4-phenylphenyl)butyl prop-2-enoate.
What is the SMILES notation for 4-(4-phenylphenyl)butyl prop-2-enoate?
The canonical SMILES for 4-(4-phenylphenyl)butyl prop-2-enoate is C=CC(=O)OCCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)butyl prop-2-enoate?
The InChIKey is YFQOSQSISQPRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-19(20)21-15-7-6-8-16-11-13-18(14-12-16)17-9-4-3-5-10-17/h2-5,9-14H,1,6-8,15H2.
What are the key properties of 4-(4-phenylphenyl)butyl prop-2-enoate?
4-(4-phenylphenyl)butyl prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)butyl prop-2-enoate is sourced from PubChem (CID 171768287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).