(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone

C20H22O4 — CID 101388679

IUPAC(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC(C)(C)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C20H22O4/c1-20(2)12-17(16-9-8-15(23-4)11-18(16)24-20)19(21)13-6-5-7-14(10-13)22-3/h5-11,17H,12H2,1-4H3
InChIKeyVMIPLLOHTSJMCN-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.23
Rot. Bonds4

About (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone

(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone (PubChem CID 101388679) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone
PubChem CID101388679
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC(C)(C)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C20H22O4/c1-20(2)12-17(16-9-8-15(23-4)11-18(16)24-20)19(21)13-6-5-7-14(10-13)22-3/h5-11,17H,12H2,1-4H3
InChIKeyVMIPLLOHTSJMCN-UHFFFAOYSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone (CID 101388679) is (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CC(C)(C)Oc3cc(OC)ccc32)c1.
What is the InChIKey of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone?
The InChIKey is VMIPLLOHTSJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(2)12-17(16-9-8-15(23-4)11-18(16)24-20)19(21)13-6-5-7-14(10-13)22-3/h5-11,17H,12H2,1-4H3.
What are the key properties of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone?
(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone has a molecular weight of 326.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 101388679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).