2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol

C29H52O11 — CID 19825439

IUPAC2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
SMILESCOCCOCCOCCOCCOCc1ccc(C(C)(C)O)cc1COCCOCCOCCOCCOC
InChIInChI=1S/C29H52O11/c1-29(2,30)28-6-5-26(24-39-21-19-37-17-15-35-13-11-33-9-7-31-3)27(23-28)25-40-22-20-38-18-16-36-14-12-34-10-8-32-4/h5-6,23,30H,7-22,24-25H2,1-4H3
InChIKeyNZXPXJXJTNJJQQ-UHFFFAOYSA-N
MW576.72 g/mol
LogP2.34
Rot. Bonds29

About 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol

2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol (PubChem CID 19825439) has the molecular formula C29H52O11 and a molecular weight of 576.72 g/mol. Its IUPAC name is 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
PubChem CID19825439
Molecular FormulaC29H52O11
Molecular Weight576.72 g/mol
Exact Mass576.35
IUPAC Name2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
SMILESCOCCOCCOCCOCCOCc1ccc(C(C)(C)O)cc1COCCOCCOCCOCCOC
InChIInChI=1S/C29H52O11/c1-29(2,30)28-6-5-26(24-39-21-19-37-17-15-35-13-11-33-9-7-31-3)27(23-28)25-40-22-20-38-18-16-36-14-12-34-10-8-32-4/h5-6,23,30H,7-22,24-25H2,1-4H3
InChIKeyNZXPXJXJTNJJQQ-UHFFFAOYSA-N
XLogP2.34
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
CID 176631810
2-hydroxy-1-[4-[[5-(2-hydroxy-2-methylpropanoyl)-2-(methoxymethyl)phenyl]methoxymethyl]-3-(methoxymethyl)phenyl]-2-methylpropan-1-one
CID 68739074
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117306056
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 103175941
1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 155649044
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol?
The IUPAC name of 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol (CID 19825439) is 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol is COCCOCCOCCOCCOCc1ccc(C(C)(C)O)cc1COCCOCCOCCOCCOC.
What is the InChIKey of 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol?
The InChIKey is NZXPXJXJTNJJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O11/c1-29(2,30)28-6-5-26(24-39-21-19-37-17-15-35-13-11-33-9-7-31-3)27(23-28)25-40-22-20-38-18-16-36-14-12-34-10-8-32-4/h5-6,23,30H,7-22,24-25H2,1-4H3.
What are the key properties of 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol?
2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol has a molecular weight of 576.72 g/mol, XLogP of 2.34, 29 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol is sourced from PubChem (CID 19825439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).