2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene

C29H24O3 — CID 172829442

IUPAC2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1c(OC)c(OCc2ccccc2)cc2ccccc12
InChIInChI=1S/C29H24O3/c1-30-25-17-16-21-12-6-8-14-23(21)27(25)28-24-15-9-7-13-22(24)18-26(29(28)31-2)32-19-20-10-4-3-5-11-20/h3-18H,19H2,1-2H3
InChIKeyVHYGTCFKBLFHMG-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.26
Rot. Bonds6

About 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene

2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene (PubChem CID 172829442) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
PubChem CID172829442
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1c(OC)c(OCc2ccccc2)cc2ccccc12
InChIInChI=1S/C29H24O3/c1-30-25-17-16-21-12-6-8-14-23(21)27(25)28-24-15-9-7-13-22(24)18-26(29(28)31-2)32-19-20-10-4-3-5-11-20/h3-18H,19H2,1-2H3
InChIKeyVHYGTCFKBLFHMG-UHFFFAOYSA-N
XLogP7.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-1-[4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2-hydroxy-3-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-ol
CID 101274377
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
[3-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-trimethylsilane
CID 175847366
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
1-(2,3-dimethoxynaphthalen-1-yl)-N-methylnaphthalen-2-amine
CID 145078328
bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
CID 158376040
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene?
The IUPAC name of 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene (CID 172829442) is 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene.
What is the SMILES notation for 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene?
The canonical SMILES for 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene is COc1ccc2ccccc2c1-c1c(OC)c(OCc2ccccc2)cc2ccccc12.
What is the InChIKey of 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene?
The InChIKey is VHYGTCFKBLFHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c1-30-25-17-16-21-12-6-8-14-23(21)27(25)28-24-15-9-7-13-22(24)18-26(29(28)31-2)32-19-20-10-4-3-5-11-20/h3-18H,19H2,1-2H3.
What are the key properties of 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene?
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene has a molecular weight of 420.51 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene is sourced from PubChem (CID 172829442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).