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

C81H92O6 — CID 161254138

IUPAC1-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
SMILESCc1ccc(CCOCc2ccccc2C)cc1.Cc1ccc(COCCOc2ccc(C)cc2)cc1.Cc1ccc(COCc2cccc(C)c2)cc1.Cc1ccc(COc2ccc(C)cc2)cc1.Cc1cccc(COCc2cccc(C)c2)c1
InChIInChI=1S/C17H20O2.C17H20O.2C16H18O.C15H16O/c1-14-3-7-16(8-4-14)13-18-11-12-19-17-9-5-15(2)6-10-17;1-14-7-9-16(10-8-14)11-12-18-13-17-6-4-3-5-15(17)2;1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16;1-13-6-8-15(9-7-13)11-17-12-16-5-3-4-14(2)10-16;1-12-3-7-14(8-4-12)11-16-15-9-5-13(2)6-10-15/h3-10H,11-13H2,1-2H3;3-10H,11-13H2,1-2H3;2*3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3
InChIKeyVBRAYAJKHIWQQW-UHFFFAOYSA-N
MW1161.62 g/mol
LogP19.88
Rot. Bonds22

About 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

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 (PubChem CID 161254138) has the molecular formula C81H92O6 and a molecular weight of 1161.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161254138
Molecular FormulaC81H92O6
Molecular Weight1161.62 g/mol
Exact Mass1160.69
IUPAC Name1-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
SMILESCc1ccc(CCOCc2ccccc2C)cc1.Cc1ccc(COCCOc2ccc(C)cc2)cc1.Cc1ccc(COCc2cccc(C)c2)cc1.Cc1ccc(COc2ccc(C)cc2)cc1.Cc1cccc(COCc2cccc(C)c2)c1
InChIInChI=1S/C17H20O2.C17H20O.2C16H18O.C15H16O/c1-14-3-7-16(8-4-14)13-18-11-12-19-17-9-5-15(2)6-10-17;1-14-7-9-16(10-8-14)11-12-18-13-17-6-4-3-5-15(17)2;1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16;1-13-6-8-15(9-7-13)11-17-12-16-5-3-4-14(2)10-16;1-12-3-7-14(8-4-12)11-16-15-9-5-13(2)6-10-15/h3-10H,11-13H2,1-2H3;3-10H,11-13H2,1-2H3;2*3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3
InChIKeyVBRAYAJKHIWQQW-UHFFFAOYSA-N
XLogP19.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.62
LogP ≤ 519.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 139335952
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CCOCc2ccccc2C)cc1.Cc1ccc(COCCOc2ccc(C)cc2)cc1.Cc1ccc(COCc2cccc(C)c2)cc1.Cc1ccc(COc2ccc(C)cc2)cc1.Cc1cccc(COCc2cccc(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is VBRAYAJKHIWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C17H20O.2C16H18O.C15H16O/c1-14-3-7-16(8-4-14)13-18-11-12-19-17-9-5-15(2)6-10-17;1-14-7-9-16(10-8-14)11-12-18-13-17-6-4-3-5-15(17)2;1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16;1-13-6-8-15(9-7-13)11-17-12-16-5-3-4-14(2)10-16;1-12-3-7-14(8-4-12)11-16-15-9-5-13(2)6-10-15/h3-10H,11-13H2,1-2H3;3-10H,11-13H2,1-2H3;2*3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1161.62 g/mol, XLogP of 19.88, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161254138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).