7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one

C37H32O5 — CID 153454846

IUPAC7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
SMILESO=c1oc2cc(CCCC(O)CCCc3ccc4cc(-c5ccccc5)c(=O)oc4c3)ccc2cc1-c1ccccc1
InChIInChI=1S/C37H32O5/c38-31(15-7-9-25-17-19-29-23-32(27-11-3-1-4-12-27)36(39)41-34(29)21-25)16-8-10-26-18-20-30-24-33(28-13-5-2-6-14-28)37(40)42-35(30)22-26/h1-6,11-14,17-24,31,38H,7-10,15-16H2
InChIKeyVJDWDCAJBINPHX-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.94
Rot. Bonds10

About 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one

7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one (PubChem CID 153454846) has the molecular formula C37H32O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
PubChem CID153454846
Molecular FormulaC37H32O5
Molecular Weight556.66 g/mol
Exact Mass556.22
IUPAC Name7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
SMILESO=c1oc2cc(CCCC(O)CCCc3ccc4cc(-c5ccccc5)c(=O)oc4c3)ccc2cc1-c1ccccc1
InChIInChI=1S/C37H32O5/c38-31(15-7-9-25-17-19-29-23-32(27-11-3-1-4-12-27)36(39)41-34(29)21-25)16-8-10-26-18-20-30-24-33(28-13-5-2-6-14-28)37(40)42-35(30)22-26/h1-6,11-14,17-24,31,38H,7-10,15-16H2
InChIKeyVJDWDCAJBINPHX-UHFFFAOYSA-N
XLogP7.94
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(3-hydroxypentyl)-3-phenylchromen-2-one
CID 146412094
7-[3-hydroxy-5-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]pentyl]-3-(4-pentylphenyl)chromen-2-one
CID 153454826
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
3-phenylchromen-2-one;hydrochloride
CID 141206894
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
CID 146412107
(2-phenyl-1-benzofuran-6-yl)methanol
CID 19840311
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
7-(furan-2-yl)-3-phenylchromen-2-one
CID 59685532
4-deuterio-3-phenylchromen-2-one
CID 10799109
[2-oxo-3-(4-pentylphenyl)chromen-7-yl] acetate
CID 126596683

Frequently Asked Questions

What is the IUPAC name of 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one?
The IUPAC name of 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one (CID 153454846) is 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one.
What is the SMILES notation for 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one?
The canonical SMILES for 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one is O=c1oc2cc(CCCC(O)CCCc3ccc4cc(-c5ccccc5)c(=O)oc4c3)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one?
The InChIKey is VJDWDCAJBINPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O5/c38-31(15-7-9-25-17-19-29-23-32(27-11-3-1-4-12-27)36(39)41-34(29)21-25)16-8-10-26-18-20-30-24-33(28-13-5-2-6-14-28)37(40)42-35(30)22-26/h1-6,11-14,17-24,31,38H,7-10,15-16H2.
What are the key properties of 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one?
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one has a molecular weight of 556.66 g/mol, XLogP of 7.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one is sourced from PubChem (CID 153454846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).