1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene

C42H42O7 — CID 10794421

IUPAC1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
SMILESc1ccc(COc2cccc3cc(OCCOCCOCCOCCOc4ccc5c(OCc6ccccc6)cccc5c4)ccc23)cc1
InChIInChI=1S/C42H42O7/c1-3-9-33(10-4-1)31-48-41-15-7-13-35-29-37(17-19-39(35)41)46-27-25-44-23-21-43-22-24-45-26-28-47-38-18-20-40-36(30-38)14-8-16-42(40)49-32-34-11-5-2-6-12-34/h1-20,29-30H,21-28,31-32H2
InChIKeyOTJIIBSQJUEVHR-UHFFFAOYSA-N
MW658.79 g/mol
LogP8.66
Rot. Bonds20

About 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene

1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene (PubChem CID 10794421) has the molecular formula C42H42O7 and a molecular weight of 658.79 g/mol. Its IUPAC name is 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
PubChem CID10794421
Molecular FormulaC42H42O7
Molecular Weight658.79 g/mol
Exact Mass658.29
IUPAC Name1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene
SMILESc1ccc(COc2cccc3cc(OCCOCCOCCOCCOc4ccc5c(OCc6ccccc6)cccc5c4)ccc23)cc1
InChIInChI=1S/C42H42O7/c1-3-9-33(10-4-1)31-48-41-15-7-13-35-29-37(17-19-39(35)41)46-27-25-44-23-21-43-22-24-45-26-28-47-38-18-20-40-36(30-38)14-8-16-42(40)49-32-34-11-5-2-6-12-34/h1-20,29-30H,21-28,31-32H2
InChIKeyOTJIIBSQJUEVHR-UHFFFAOYSA-N
XLogP8.66
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-phenylmethoxynaphthalen-2-ol
CID 71348952
5-phenylmethoxynaphthalen-2-amine
CID 129054622
1,6-dipentoxynaphthalene
CID 22144299
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
N-methyl-2-(2-naphthalen-1-yloxyethoxy)ethanamine
CID 82085820
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
(3R)-3-methyl-1-[4-[(6-octoxynaphthalen-1-yl)oxymethyl]phenyl]pentan-1-one
CID 57266006
1-(2-phenoxyethoxy)-3-phenyl-2-(2-phenylmethoxyethoxy)benzene
CID 154422197
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1,2-bis(phenylmethoxy)naphthalene
CID 67710722

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The IUPAC name of 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene (CID 10794421) is 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene.
What is the SMILES notation for 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The canonical SMILES for 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene is c1ccc(COc2cccc3cc(OCCOCCOCCOCCOc4ccc5c(OCc6ccccc6)cccc5c4)ccc23)cc1.
What is the InChIKey of 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The InChIKey is OTJIIBSQJUEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42O7/c1-3-9-33(10-4-1)31-48-41-15-7-13-35-29-37(17-19-39(35)41)46-27-25-44-23-21-43-22-24-45-26-28-47-38-18-20-40-36(30-38)14-8-16-42(40)49-32-34-11-5-2-6-12-34/h1-20,29-30H,21-28,31-32H2.
What are the key properties of 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene has a molecular weight of 658.79 g/mol, XLogP of 8.66, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-6-[2-[2-[2-[2-(5-phenylmethoxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalene is sourced from PubChem (CID 10794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).