(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one

C23H24O5 — CID 10452362

IUPAC(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one
SMILESCO/C(=C\C(=O)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2)c1ccccc1
InChIInChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-
InChIKeyKLIBVTLWIJEYNK-AQTBWJFISA-N
MW380.44 g/mol
LogP4.76
Rot. Bonds6

About (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one

(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one (PubChem CID 10452362) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one
PubChem CID10452362
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one
SMILESCO/C(=C\C(=O)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2)c1ccccc1
InChIInChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-
InChIKeyKLIBVTLWIJEYNK-AQTBWJFISA-N
XLogP4.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 4632
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Puerarin
CID 5281807
Chrysin
CID 5281607

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one (CID 10452362) is (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one is CO/C(=C\C(=O)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2)c1ccccc1.
What is the InChIKey of (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one?
The InChIKey is KLIBVTLWIJEYNK-AQTBWJFISA-N. The full InChI is InChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-.
What are the key properties of (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one?
(Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one has a molecular weight of 380.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one is sourced from PubChem (CID 10452362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).