2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol

C35H44O7 — CID 126699722

IUPAC2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol
SMILESCOCCOCCOCCOc1ccc(-c2c(COCCOCCO)c3cc(C)ccc3c3ccc(C)cc23)cc1C
InChIInChI=1S/C35H44O7/c1-25-5-8-29-30-9-6-26(2)22-32(30)35(33(31(29)21-25)24-41-18-17-38-12-11-36)28-7-10-34(27(3)23-28)42-20-19-40-16-15-39-14-13-37-4/h5-10,21-23,36H,11-20,24H2,1-4H3
InChIKeyHPWUXWSFNWQWCX-UHFFFAOYSA-N
MW576.73 g/mol
LogP6.17
Rot. Bonds18

About 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol

2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol (PubChem CID 126699722) has the molecular formula C35H44O7 and a molecular weight of 576.73 g/mol. Its IUPAC name is 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol
PubChem CID126699722
Molecular FormulaC35H44O7
Molecular Weight576.73 g/mol
Exact Mass576.31
IUPAC Name2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol
SMILESCOCCOCCOCCOc1ccc(-c2c(COCCOCCO)c3cc(C)ccc3c3ccc(C)cc23)cc1C
InChIInChI=1S/C35H44O7/c1-25-5-8-29-30-9-6-26(2)22-32(30)35(33(31(29)21-25)24-41-18-17-38-12-11-36)28-7-10-34(27(3)23-28)42-20-19-40-16-15-39-14-13-37-4/h5-10,21-23,36H,11-20,24H2,1-4H3
InChIKeyHPWUXWSFNWQWCX-UHFFFAOYSA-N
XLogP6.17
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]-5-[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]phenyl]methyl-trimethylazanium
CID 126699669
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
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
triethyl-[[2-[2-(2-hydroxyethoxy)ethoxymethyl]-5-[6-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,8-dimethyl-1,10-phenanthrolin-5-yl]phenyl]methyl]azanium
CID 126699685
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
CID 126699664
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
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-[[4-[3-[3,4-bis[2-(2-methoxyethoxy)ethoxy]phenyl]-5,8-dimethylquinoxalin-2-yl]-2-[2-(2-hydroxyethoxy)ethoxymethyl]phenyl]methoxy]ethoxy]ethanol
CID 123584233
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol (CID 126699722) is 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol is COCCOCCOCCOc1ccc(-c2c(COCCOCCO)c3cc(C)ccc3c3ccc(C)cc23)cc1C.
What is the InChIKey of 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol?
The InChIKey is HPWUXWSFNWQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44O7/c1-25-5-8-29-30-9-6-26(2)22-32(30)35(33(31(29)21-25)24-41-18-17-38-12-11-36)28-7-10-34(27(3)23-28)42-20-19-40-16-15-39-14-13-37-4/h5-10,21-23,36H,11-20,24H2,1-4H3.
What are the key properties of 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol?
2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol has a molecular weight of 576.73 g/mol, XLogP of 6.17, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]methoxy]ethoxy]ethanol is sourced from PubChem (CID 126699722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).