4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one

C37H28O4 — CID 54721410

IUPAC4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C1CC(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C37H28O4/c38-36-32-12-6-7-13-34(32)41-37(39)35(36)33-23-28(22-27-10-4-5-11-31(27)33)26-16-20-30(21-17-26)40-29-18-14-25(15-19-29)24-8-2-1-3-9-24/h1-21,28,33,38H,22-23H2
InChIKeyWAIOBGFOVLCMRF-UHFFFAOYSA-N
MW536.63 g/mol
LogP8.82
Rot. Bonds5

About 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one

4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one (PubChem CID 54721410) has the molecular formula C37H28O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
PubChem CID54721410
Molecular FormulaC37H28O4
Molecular Weight536.63 g/mol
Exact Mass536.20
IUPAC Name4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C1CC(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C37H28O4/c38-36-32-12-6-7-13-34(32)41-37(39)35(36)33-23-28(22-27-10-4-5-11-31(27)33)26-16-20-30(21-17-26)40-29-18-14-25(15-19-29)24-8-2-1-3-9-24/h1-21,28,33,38H,22-23H2
InChIKeyWAIOBGFOVLCMRF-UHFFFAOYSA-N
XLogP8.82
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one (CID 54721410) is 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is O=c1oc2ccccc2c(O)c1C1CC(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Cc2ccccc21.
What is the InChIKey of 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
The InChIKey is WAIOBGFOVLCMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O4/c38-36-32-12-6-7-13-34(32)41-37(39)35(36)33-23-28(22-27-10-4-5-11-31(27)33)26-16-20-30(21-17-26)40-29-18-14-25(15-19-29)24-8-2-1-3-9-24/h1-21,28,33,38H,22-23H2.
What are the key properties of 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one has a molecular weight of 536.63 g/mol, XLogP of 8.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-[4-(4-phenylphenoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is sourced from PubChem (CID 54721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).