(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone

C30H22O3 — CID 134868316

IUPAC(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C/C2=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22O3/c1-32-24-17-18-25-26(20-27(33-28(25)19-24)21-11-5-2-6-12-21)29(22-13-7-3-8-14-22)30(31)23-15-9-4-10-16-23/h2-20H,1H3/b29-26+
InChIKeyQBUQIJOJMDCGBV-PBBVDAKRSA-N
MW430.50 g/mol
LogP6.92
Rot. Bonds5

About (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone

(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone (PubChem CID 134868316) has the molecular formula C30H22O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone
PubChem CID134868316
Molecular FormulaC30H22O3
Molecular Weight430.50 g/mol
Exact Mass430.16
IUPAC Name(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C/C2=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22O3/c1-32-24-17-18-25-26(20-27(33-28(25)19-24)21-11-5-2-6-12-21)29(22-13-7-3-8-14-22)30(31)23-15-9-4-10-16-23/h2-20H,1H3/b29-26+
InChIKeyQBUQIJOJMDCGBV-PBBVDAKRSA-N
XLogP6.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone?
The IUPAC name of (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone (CID 134868316) is (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone is COc1ccc2c(c1)OC(c1ccccc1)=C/C2=C(\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone?
The InChIKey is QBUQIJOJMDCGBV-PBBVDAKRSA-N. The full InChI is InChI=1S/C30H22O3/c1-32-24-17-18-25-26(20-27(33-28(25)19-24)21-11-5-2-6-12-21)29(22-13-7-3-8-14-22)30(31)23-15-9-4-10-16-23/h2-20H,1H3/b29-26+.
What are the key properties of (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone?
(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone has a molecular weight of 430.50 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone is sourced from PubChem (CID 134868316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).