[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate

C27H38O8 — CID 157385446

IUPAC[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
SMILESCOCCOCCOCCOCCOCCOc1ccc(-c2cc(C)ccc2C)cc1COC=O
InChIInChI=1S/C27H38O8/c1-22-4-5-23(2)26(18-22)24-6-7-27(25(19-24)20-34-21-28)35-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-3/h4-7,18-19,21H,8-17,20H2,1-3H3
InChIKeyNHAUPJBWUSWHKW-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.74
Rot. Bonds20

About [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate

[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate (PubChem CID 157385446) has the molecular formula C27H38O8 and a molecular weight of 490.59 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
PubChem CID157385446
Molecular FormulaC27H38O8
Molecular Weight490.59 g/mol
Exact Mass490.26
IUPAC Name[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
SMILESCOCCOCCOCCOCCOCCOc1ccc(-c2cc(C)ccc2C)cc1COC=O
InChIInChI=1S/C27H38O8/c1-22-4-5-23(2)26(18-22)24-6-7-27(25(19-24)20-34-21-28)35-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-3/h4-7,18-19,21H,8-17,20H2,1-3H3
InChIKeyNHAUPJBWUSWHKW-UHFFFAOYSA-N
XLogP3.74
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,5-dimethylphenyl)-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
CID 161276237
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
CID 126699664
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium
CID 126699689
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium
CID 158185379
2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
CID 169014038

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate?
The IUPAC name of [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate (CID 157385446) is [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate?
The canonical SMILES for [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate is COCCOCCOCCOCCOCCOc1ccc(-c2cc(C)ccc2C)cc1COC=O.
What is the InChIKey of [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate?
The InChIKey is NHAUPJBWUSWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O8/c1-22-4-5-23(2)26(18-22)24-6-7-27(25(19-24)20-34-21-28)35-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-3/h4-7,18-19,21H,8-17,20H2,1-3H3.
What are the key properties of [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate?
[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate has a molecular weight of 490.59 g/mol, XLogP of 3.74, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate is sourced from PubChem (CID 157385446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).