4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol

C21H28O4 — CID 173357798

IUPAC4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
SMILESCOCCOCCOc1cccc(-c2cccc(CCCCO)c2)c1
InChIInChI=1S/C21H28O4/c1-23-12-13-24-14-15-25-21-10-5-9-20(17-21)19-8-4-7-18(16-19)6-2-3-11-22/h4-5,7-10,16-17,22H,2-3,6,11-15H2,1H3
InChIKeySQWQOVIRQVWENB-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.71
Rot. Bonds12

About 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol

4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol (PubChem CID 173357798) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
PubChem CID173357798
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
SMILESCOCCOCCOc1cccc(-c2cccc(CCCCO)c2)c1
InChIInChI=1S/C21H28O4/c1-23-12-13-24-14-15-25-21-10-5-9-20(17-21)19-8-4-7-18(16-19)6-2-3-11-22/h4-5,7-10,16-17,22H,2-3,6,11-15H2,1H3
InChIKeySQWQOVIRQVWENB-UHFFFAOYSA-N
XLogP3.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
CID 10400711
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol?
The IUPAC name of 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol (CID 173357798) is 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol.
What is the SMILES notation for 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol?
The canonical SMILES for 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol is COCCOCCOc1cccc(-c2cccc(CCCCO)c2)c1.
What is the InChIKey of 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol?
The InChIKey is SQWQOVIRQVWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-23-12-13-24-14-15-25-21-10-5-9-20(17-21)19-8-4-7-18(16-19)6-2-3-11-22/h4-5,7-10,16-17,22H,2-3,6,11-15H2,1H3.
What are the key properties of 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol?
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol has a molecular weight of 344.45 g/mol, XLogP of 3.71, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 173357798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).