1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone

C18H20O5 — CID 139365460

IUPAC1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
SMILESCOc1cc(OCc2ccccc2)c(OC)c(OC)c1C(C)=O
InChIInChI=1S/C18H20O5/c1-12(19)16-14(20-2)10-15(17(21-3)18(16)22-4)23-11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKeyFSUYBSHDIYZVAM-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.49
Rot. Bonds7

About 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone

1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone (PubChem CID 139365460) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
PubChem CID139365460
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
SMILESCOc1cc(OCc2ccccc2)c(OC)c(OC)c1C(C)=O
InChIInChI=1S/C18H20O5/c1-12(19)16-14(20-2)10-15(17(21-3)18(16)22-4)23-11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKeyFSUYBSHDIYZVAM-UHFFFAOYSA-N
XLogP3.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-[2,3-dimethoxy-4,6-bis(phenylmethoxy)phenyl]-2-(2,4-dimethoxyphenyl)-3,3-dimethoxypropan-1-one
CID 10531674
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 143913926
[(3R,6S)-6-(3-acetyl-2,6-dimethoxy-4-phenylmethoxyphenyl)-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 135043420
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
bis[3-acetyl-2,4-bis(phenylmethoxy)phenyl]iodanium
CID 23031244
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
(E)-1-[2,4-dimethoxy-3,6-bis(phenylmethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10816288
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone (CID 139365460) is 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone is COc1cc(OCc2ccccc2)c(OC)c(OC)c1C(C)=O.
What is the InChIKey of 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone?
The InChIKey is FSUYBSHDIYZVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12(19)16-14(20-2)10-15(17(21-3)18(16)22-4)23-11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone?
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone has a molecular weight of 316.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 139365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).