1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone

C23H24O6 — CID 11596386

IUPAC1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
SMILESCOc1cc(OC)c2c(OC)c(C(C)=O)cc(OC)c2c1OCc1ccccc1
InChIInChI=1S/C23H24O6/c1-14(24)16-11-17(25-2)21-20(22(16)28-5)18(26-3)12-19(27-4)23(21)29-13-15-9-7-6-8-10-15/h6-12H,13H2,1-5H3
InChIKeyCTMZBHXPUGZAIU-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.66
Rot. Bonds8

About 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone

1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone (PubChem CID 11596386) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
PubChem CID11596386
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
SMILESCOc1cc(OC)c2c(OC)c(C(C)=O)cc(OC)c2c1OCc1ccccc1
InChIInChI=1S/C23H24O6/c1-14(24)16-11-17(25-2)21-20(22(16)28-5)18(26-3)12-19(27-4)23(21)29-13-15-9-7-6-8-10-15/h6-12H,13H2,1-5H3
InChIKeyCTMZBHXPUGZAIU-UHFFFAOYSA-N
XLogP4.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
CID 24813447
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone (CID 11596386) is 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone is COc1cc(OC)c2c(OC)c(C(C)=O)cc(OC)c2c1OCc1ccccc1.
What is the InChIKey of 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone?
The InChIKey is CTMZBHXPUGZAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-14(24)16-11-17(25-2)21-20(22(16)28-5)18(26-3)12-19(27-4)23(21)29-13-15-9-7-6-8-10-15/h6-12H,13H2,1-5H3.
What are the key properties of 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone?
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone has a molecular weight of 396.44 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 11596386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).