2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol

C13H20O5 — CID 68603609

IUPAC2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
SMILESCOCCOCOc1ccc(CCO)cc1OC
InChIInChI=1S/C13H20O5/c1-15-7-8-17-10-18-12-4-3-11(5-6-14)9-13(12)16-2/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyGCMLYYFJGZSEIA-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.23
Rot. Bonds9

About 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol

2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol (PubChem CID 68603609) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
PubChem CID68603609
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
SMILESCOCCOCOc1ccc(CCO)cc1OC
InChIInChI=1S/C13H20O5/c1-15-7-8-17-10-18-12-4-3-11(5-6-14)9-13(12)16-2/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyGCMLYYFJGZSEIA-UHFFFAOYSA-N
XLogP1.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
CID 58235144
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70430825
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
CID 54272743

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol?
The IUPAC name of 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol (CID 68603609) is 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol?
The canonical SMILES for 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol is COCCOCOc1ccc(CCO)cc1OC.
What is the InChIKey of 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol?
The InChIKey is GCMLYYFJGZSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-15-7-8-17-10-18-12-4-3-11(5-6-14)9-13(12)16-2/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol?
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 68603609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).