2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one

C18H18O3 — CID 15609636

IUPAC2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C18H18O3/c1-18(2)11-16(19)15-9-8-14(10-17(15)21-18)20-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyVDUAWODXQBXTHH-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.01
Rot. Bonds3

About 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one

2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one (PubChem CID 15609636) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one.

Molecular Properties

Compound Name2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one
PubChem CID15609636
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C18H18O3/c1-18(2)11-16(19)15-9-8-14(10-17(15)21-18)20-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyVDUAWODXQBXTHH-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one?
The IUPAC name of 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one (CID 15609636) is 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one.
What is the SMILES notation for 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one?
The canonical SMILES for 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one is CC1(C)CC(=O)c2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one?
The InChIKey is VDUAWODXQBXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2)11-16(19)15-9-8-14(10-17(15)21-18)20-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one?
2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-phenylmethoxy-3H-chromen-4-one is sourced from PubChem (CID 15609636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).