(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H22O5 — CID 10043693

IUPAC(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCC=C2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22O5/c1-23-15-8-9-16-13(10-15)6-5-7-17(16)20(22)14-11-18(24-2)21(26-4)19(12-14)25-3/h7-12H,5-6H2,1-4H3
InChIKeyRJDGGTFBGGDMLP-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.93
Rot. Bonds6

About (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10043693) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10043693
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCC=C2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22O5/c1-23-15-8-9-16-13(10-15)6-5-7-17(16)20(22)14-11-18(24-2)21(26-4)19(12-14)25-3/h7-12H,5-6H2,1-4H3
InChIKeyRJDGGTFBGGDMLP-UHFFFAOYSA-N
XLogP3.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981
N-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-N-methylacetamide
CID 11054318
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
[(E)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5347342
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
CID 14175471
lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 142051549
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 18084445
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10043693) is (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(c1)CCC=C2C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RJDGGTFBGGDMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-23-15-8-9-16-13(10-15)6-5-7-17(16)20(22)14-11-18(24-2)21(26-4)19(12-14)25-3/h7-12H,5-6H2,1-4H3.
What are the key properties of (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 354.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10043693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).