(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C20H16O3 — CID 922966

IUPAC(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C20H16O3/c1-15-11-12-17(22-15)13-14-20(21)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3/b14-13+
InChIKeyMOWCLVSLUCZERY-BUHFOSPRSA-N
MW304.35 g/mol
LogP4.87
Rot. Bonds4

About (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate

(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 922966) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID922966
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C20H16O3/c1-15-11-12-17(22-15)13-14-20(21)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3/b14-13+
InChIKeyMOWCLVSLUCZERY-BUHFOSPRSA-N
XLogP4.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2,5-dimethylphenyl) 3-(5-methylfuran-2-yl)prop-2-enoate
CID 918130
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
CID 141374619
(2-bromo-4-ethylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 932753
(E)-N-[2-(2-methoxyphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26778092
4-O-(2-phenylphenyl) 1-O-undecyl (E)-but-2-enedioate
CID 91725429
[2-[3-(5-methylfuran-2-yl)prop-2-enoyl]phenyl] dihydrogen phosphate
CID 70507728
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
[4-(ethoxycarbonylamino)phenyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 72688914
naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4539198
ethyl 2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate
CID 4302886
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 16617029

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 922966) is (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)o1.
What is the InChIKey of (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is MOWCLVSLUCZERY-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H16O3/c1-15-11-12-17(22-15)13-14-20(21)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3/b14-13+.
What are the key properties of (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
(2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 922966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).