4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol

C24H24O3 — CID 57012204

IUPAC4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
SMILESCOc1ccc2c(c1)OC(C)(C)C(c1ccccc1)(c1ccc(O)cc1)C2
InChIInChI=1S/C24H24O3/c1-23(2)24(18-7-5-4-6-8-18,19-10-12-20(25)13-11-19)16-17-9-14-21(26-3)15-22(17)27-23/h4-15,25H,16H2,1-3H3
InChIKeyCARMVQKFLOYOTE-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.10
Rot. Bonds3

About 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol

4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol (PubChem CID 57012204) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol.

Molecular Properties

Compound Name4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
PubChem CID57012204
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
SMILESCOc1ccc2c(c1)OC(C)(C)C(c1ccccc1)(c1ccc(O)cc1)C2
InChIInChI=1S/C24H24O3/c1-23(2)24(18-7-5-4-6-8-18,19-10-12-20(25)13-11-19)16-17-9-14-21(26-3)15-22(17)27-23/h4-15,25H,16H2,1-3H3
InChIKeyCARMVQKFLOYOTE-UHFFFAOYSA-N
XLogP5.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol?
The IUPAC name of 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol (CID 57012204) is 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol.
What is the SMILES notation for 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol?
The canonical SMILES for 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol is COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)(c1ccc(O)cc1)C2.
What is the InChIKey of 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol?
The InChIKey is CARMVQKFLOYOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-23(2)24(18-7-5-4-6-8-18,19-10-12-20(25)13-11-19)16-17-9-14-21(26-3)15-22(17)27-23/h4-15,25H,16H2,1-3H3.
What are the key properties of 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol?
4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol has a molecular weight of 360.45 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol is sourced from PubChem (CID 57012204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).