1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol

C12H18O5 — CID 76530110

IUPAC1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
SMILESCOCCOCOc1cccc(C(O)CO)c1
InChIInChI=1S/C12H18O5/c1-15-5-6-16-9-17-11-4-2-3-10(7-11)12(14)8-13/h2-4,7,12-14H,5-6,8-9H2,1H3
InChIKeyPSFYHOBMTFQKKS-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.71
Rot. Bonds8

About 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol

1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol (PubChem CID 76530110) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
PubChem CID76530110
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
SMILESCOCCOCOc1cccc(C(O)CO)c1
InChIInChI=1S/C12H18O5/c1-15-5-6-16-9-17-11-4-2-3-10(7-11)12(14)8-13/h2-4,7,12-14H,5-6,8-9H2,1H3
InChIKeyPSFYHOBMTFQKKS-UHFFFAOYSA-N
XLogP0.71
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
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

1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
CID 129363855
1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
CID 10738710
3-hydroxy-3-[3-(2-methoxyethoxy)phenyl]propanenitrile
CID 67316257
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
CID 117287069
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol
CID 59348055
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol (CID 76530110) is 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol is COCCOCOc1cccc(C(O)CO)c1.
What is the InChIKey of 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol?
The InChIKey is PSFYHOBMTFQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-15-5-6-16-9-17-11-4-2-3-10(7-11)12(14)8-13/h2-4,7,12-14H,5-6,8-9H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol?
1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol has a molecular weight of 242.27 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol is sourced from PubChem (CID 76530110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).