7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene

C23H26O3 — CID 73333235

IUPAC7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene
SMILESCOc1cc2c(cc1C(C)OC/C=C/c1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H26O3/c1-17(25-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)24-4/h5-13,15-17H,14H2,1-4H3/b11-8+
InChIKeyWCUJEGHLDNDLPJ-DHZHZOJOSA-N
MW350.46 g/mol
LogP5.67
Rot. Bonds6

About 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene

7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene (PubChem CID 73333235) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene
PubChem CID73333235
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene
SMILESCOc1cc2c(cc1C(C)OC/C=C/c1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H26O3/c1-17(25-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)24-4/h5-13,15-17H,14H2,1-4H3/b11-8+
InChIKeyWCUJEGHLDNDLPJ-DHZHZOJOSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene?
The IUPAC name of 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene (CID 73333235) is 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene?
The canonical SMILES for 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene is COc1cc2c(cc1C(C)OC/C=C/c1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene?
The InChIKey is WCUJEGHLDNDLPJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H26O3/c1-17(25-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)24-4/h5-13,15-17H,14H2,1-4H3/b11-8+.
What are the key properties of 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene?
7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene has a molecular weight of 350.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-6-[1-[(E)-3-phenylprop-2-enoxy]ethyl]chromene is sourced from PubChem (CID 73333235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).