2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene

C42H56O10 — CID 139335952

IUPAC2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
SMILESCc1ccc(COCCOCCOCCOCCOc2cc3ccccc3cc2OCCOCCOCCOCCOCc2ccc(C)cc2)cc1
InChIInChI=1S/C42H56O10/c1-35-7-11-37(12-8-35)33-49-25-23-45-17-15-43-19-21-47-27-29-51-41-31-39-5-3-4-6-40(39)32-42(41)52-30-28-48-22-20-44-16-18-46-24-26-50-34-38-13-9-36(2)10-14-38/h3-14,31-32H,15-30,33-34H2,1-2H3
InChIKeyMUNCHLLLXHMOTB-UHFFFAOYSA-N
MW720.90 g/mol
LogP6.75
Rot. Bonds30

About 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene

2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene (PubChem CID 139335952) has the molecular formula C42H56O10 and a molecular weight of 720.90 g/mol. Its IUPAC name is 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
PubChem CID139335952
Molecular FormulaC42H56O10
Molecular Weight720.90 g/mol
Exact Mass720.39
IUPAC Name2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
SMILESCc1ccc(COCCOCCOCCOCCOc2cc3ccccc3cc2OCCOCCOCCOCCOCc2ccc(C)cc2)cc1
InChIInChI=1S/C42H56O10/c1-35-7-11-37(12-8-35)33-49-25-23-45-17-15-43-19-21-47-27-29-51-41-31-39-5-3-4-6-40(39)32-42(41)52-30-28-48-22-20-44-16-18-46-24-26-50-34-38-13-9-36(2)10-14-38/h3-14,31-32H,15-30,33-34H2,1-2H3
InChIKeyMUNCHLLLXHMOTB-UHFFFAOYSA-N
XLogP6.75
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene
CID 11387346
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118048156
1-[5-methyl-2-(2-phenylmethoxyethoxy)phenyl]piperazine
CID 112752271
3-[2-[2-[3-[2-[2-(3-sulfopropoxy)ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]propane-1-sulfonic acid
CID 139335958
1-methyl-4-[2-(4-methylphenoxy)ethoxymethyl]benzene;1-methyl-4-[(4-methylphenoxy)methyl]benzene;1-methyl-2-[2-(4-methylphenyl)ethoxymethyl]benzene;1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene;1-methyl-3-[(4-methylphenyl)methoxymethyl]benzene
CID 161254138

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The IUPAC name of 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene (CID 139335952) is 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene.
What is the SMILES notation for 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The canonical SMILES for 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene is Cc1ccc(COCCOCCOCCOCCOc2cc3ccccc3cc2OCCOCCOCCOCCOCc2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
The InChIKey is MUNCHLLLXHMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56O10/c1-35-7-11-37(12-8-35)33-49-25-23-45-17-15-43-19-21-47-27-29-51-41-31-39-5-3-4-6-40(39)32-42(41)52-30-28-48-22-20-44-16-18-46-24-26-50-34-38-13-9-36(2)10-14-38/h3-14,31-32H,15-30,33-34H2,1-2H3.
What are the key properties of 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene?
2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene has a molecular weight of 720.90 g/mol, XLogP of 6.75, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene is sourced from PubChem (CID 139335952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).