[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol

C22H38O10 — CID 86247130

IUPAC[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
SMILESCOCCOCCOCCOc1cc(CO)c(OCCOCCOCCOC)cc1CO
InChIInChI=1S/C22H38O10/c1-25-3-5-27-7-9-29-11-13-31-21-15-20(18-24)22(16-19(21)17-23)32-14-12-30-10-8-28-6-4-26-2/h15-16,23-24H,3-14,17-18H2,1-2H3
InChIKeyFCSPNRRABLSUDV-UHFFFAOYSA-N
MW462.54 g/mol
LogP0.79
Rot. Bonds22

About [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol

[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol (PubChem CID 86247130) has the molecular formula C22H38O10 and a molecular weight of 462.54 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
PubChem CID86247130
Molecular FormulaC22H38O10
Molecular Weight462.54 g/mol
Exact Mass462.25
IUPAC Name[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
SMILESCOCCOCCOCCOc1cc(CO)c(OCCOCCOCCOC)cc1CO
InChIInChI=1S/C22H38O10/c1-25-3-5-27-7-9-29-11-13-31-21-15-20(18-24)22(16-19(21)17-23)32-14-12-30-10-8-28-6-4-26-2/h15-16,23-24H,3-14,17-18H2,1-2H3
InChIKeyFCSPNRRABLSUDV-UHFFFAOYSA-N
XLogP0.79
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
CID 58235144
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
CID 102421816
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183
[4-[2-[2-ethyl-4,5-bis(hydroxymethyl)phenoxy]ethoxy]-2-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 134578778
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
ethane;4-(3-hydroxypropyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 170966379
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol (CID 86247130) is [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol is COCCOCCOCCOc1cc(CO)c(OCCOCCOCCOC)cc1CO.
What is the InChIKey of [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol?
The InChIKey is FCSPNRRABLSUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O10/c1-25-3-5-27-7-9-29-11-13-31-21-15-20(18-24)22(16-19(21)17-23)32-14-12-30-10-8-28-6-4-26-2/h15-16,23-24H,3-14,17-18H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol?
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol has a molecular weight of 462.54 g/mol, XLogP of 0.79, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 86247130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).