(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

C22H18O2 — CID 6275541

IUPAC(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O2/c1-17-7-9-18(10-8-17)11-16-22(23)24-21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11+
InChIKeyKAMNLLQAJUSIOM-LFIBNONCSA-N
MW314.38 g/mol
LogP5.28
Rot. Bonds4

About (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 6275541) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID6275541
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O2/c1-17-7-9-18(10-8-17)11-16-22(23)24-21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11+
InChIKeyKAMNLLQAJUSIOM-LFIBNONCSA-N
XLogP5.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
CID 162204319
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
(2,3,4,5,6-pentafluorophenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 87281040

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (CID 6275541) is (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is KAMNLLQAJUSIOM-LFIBNONCSA-N. The full InChI is InChI=1S/C22H18O2/c1-17-7-9-18(10-8-17)11-16-22(23)24-21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11+.
What are the key properties of (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 6275541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).