7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one

C30H25NO4 — CID 14626335

IUPAC7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNc3ccccc3)ccc12
InChIInChI=1S/C30H25NO4/c32-24(19-31-23-14-8-3-9-15-23)20-34-25-16-17-26-27(18-25)35-30(22-12-6-2-7-13-22)28(29(26)33)21-10-4-1-5-11-21/h1-18,24,31-32H,19-20H2
InChIKeyYCXGMGKLPSVECJ-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.98
Rot. Bonds8

About 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one

7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one (PubChem CID 14626335) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one.

Molecular Properties

Compound Name7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
PubChem CID14626335
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNc3ccccc3)ccc12
InChIInChI=1S/C30H25NO4/c32-24(19-31-23-14-8-3-9-15-23)20-34-25-16-17-26-27(18-25)35-30(22-12-6-2-7-13-22)28(29(26)33)21-10-4-1-5-11-21/h1-18,24,31-32H,19-20H2
InChIKeyYCXGMGKLPSVECJ-UHFFFAOYSA-N
XLogP5.98
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one?
The IUPAC name of 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one (CID 14626335) is 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one.
What is the SMILES notation for 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one?
The canonical SMILES for 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one is O=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNc3ccccc3)ccc12.
What is the InChIKey of 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one?
The InChIKey is YCXGMGKLPSVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4/c32-24(19-31-23-14-8-3-9-15-23)20-34-25-16-17-26-27(18-25)35-30(22-12-6-2-7-13-22)28(29(26)33)21-10-4-1-5-11-21/h1-18,24,31-32H,19-20H2.
What are the key properties of 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one?
7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one has a molecular weight of 463.53 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one is sourced from PubChem (CID 14626335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).