(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone

C20H20O4 — CID 132850797

IUPAC(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(OC)c2c1OC(C)(C)C=C2
InChIInChI=1S/C20H20O4/c1-20(2)12-11-14-17(23-4)10-9-15(19(14)24-20)18(21)13-7-5-6-8-16(13)22-3/h5-12H,1-4H3
InChIKeyUTYVETBJDFFDNQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.12
Rot. Bonds4

About (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone

(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone (PubChem CID 132850797) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone
PubChem CID132850797
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(OC)c2c1OC(C)(C)C=C2
InChIInChI=1S/C20H20O4/c1-20(2)12-11-14-17(23-4)10-9-15(19(14)24-20)18(21)13-7-5-6-8-16(13)22-3/h5-12H,1-4H3
InChIKeyUTYVETBJDFFDNQ-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 77146054
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
N-[2-methoxy-5-[3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]-1-phenylmethanesulfonamide
CID 123626686
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
[3-(5,8-dimethoxy-2,2-dimethylchromene-6-carbonyl)-4-methoxyphenyl] 4-methylbenzenesulfonate
CID 53305202
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-en-1-one
CID 90670520
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
[5-[(E)-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl]urea
CID 163710358
[2-methoxy-5-[3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 78139084
1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 78138967

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone (CID 132850797) is (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ccc(OC)c2c1OC(C)(C)C=C2.
What is the InChIKey of (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone?
The InChIKey is UTYVETBJDFFDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)12-11-14-17(23-4)10-9-15(19(14)24-20)18(21)13-7-5-6-8-16(13)22-3/h5-12H,1-4H3.
What are the key properties of (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone?
(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone has a molecular weight of 324.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 132850797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).