2,5,8-trimethoxy-1-phenylmethoxynaphthalene

C20H20O4 — CID 132576199

IUPAC2,5,8-trimethoxy-1-phenylmethoxynaphthalene
SMILESCOc1ccc2c(OC)ccc(OC)c2c1OCc1ccccc1
InChIInChI=1S/C20H20O4/c1-21-16-11-12-17(22-2)19-15(16)9-10-18(23-3)20(19)24-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyBGOAFWJPUGAGIX-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.44
Rot. Bonds6

About 2,5,8-trimethoxy-1-phenylmethoxynaphthalene

2,5,8-trimethoxy-1-phenylmethoxynaphthalene (PubChem CID 132576199) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,5,8-trimethoxy-1-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2,5,8-trimethoxy-1-phenylmethoxynaphthalene
PubChem CID132576199
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2,5,8-trimethoxy-1-phenylmethoxynaphthalene
SMILESCOc1ccc2c(OC)ccc(OC)c2c1OCc1ccccc1
InChIInChI=1S/C20H20O4/c1-21-16-11-12-17(22-2)19-15(16)9-10-18(23-3)20(19)24-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyBGOAFWJPUGAGIX-UHFFFAOYSA-N
XLogP4.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 121230870
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethoxy-1-phenylmethoxynaphthalene?
The IUPAC name of 2,5,8-trimethoxy-1-phenylmethoxynaphthalene (CID 132576199) is 2,5,8-trimethoxy-1-phenylmethoxynaphthalene.
What is the SMILES notation for 2,5,8-trimethoxy-1-phenylmethoxynaphthalene?
The canonical SMILES for 2,5,8-trimethoxy-1-phenylmethoxynaphthalene is COc1ccc2c(OC)ccc(OC)c2c1OCc1ccccc1.
What is the InChIKey of 2,5,8-trimethoxy-1-phenylmethoxynaphthalene?
The InChIKey is BGOAFWJPUGAGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-21-16-11-12-17(22-2)19-15(16)9-10-18(23-3)20(19)24-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of 2,5,8-trimethoxy-1-phenylmethoxynaphthalene?
2,5,8-trimethoxy-1-phenylmethoxynaphthalene has a molecular weight of 324.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trimethoxy-1-phenylmethoxynaphthalene is sourced from PubChem (CID 132576199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).