sodium 2-(3,5-dimethoxyphenyl)ethanolate

C10H13NaO3 — CID 175142417

IUPACsodium 2-(3,5-dimethoxyphenyl)ethanolate
SMILESCOc1cc(CC[O-])cc(OC)c1.[Na+]
InChIInChI=1S/C10H13O3.Na/c1-12-9-5-8(3-4-11)6-10(7-9)13-2;/h5-7H,3-4H2,1-2H3;/q-1;+1
InChIKeyCNDHTZQRBSFZRN-UHFFFAOYSA-N
MW204.20 g/mol
LogP-2.39
Rot. Bonds4

About sodium 2-(3,5-dimethoxyphenyl)ethanolate

sodium 2-(3,5-dimethoxyphenyl)ethanolate (PubChem CID 175142417) has the molecular formula C10H13NaO3 and a molecular weight of 204.20 g/mol. Its IUPAC name is sodium 2-(3,5-dimethoxyphenyl)ethanolate.

Molecular Properties

Compound Namesodium 2-(3,5-dimethoxyphenyl)ethanolate
PubChem CID175142417
Molecular FormulaC10H13NaO3
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Namesodium 2-(3,5-dimethoxyphenyl)ethanolate
SMILESCOc1cc(CC[O-])cc(OC)c1.[Na+]
InChIInChI=1S/C10H13O3.Na/c1-12-9-5-8(3-4-11)6-10(7-9)13-2;/h5-7H,3-4H2,1-2H3;/q-1;+1
InChIKeyCNDHTZQRBSFZRN-UHFFFAOYSA-N
XLogP-2.39
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-butyl-3,5-dimethoxybenzene
CID 524875
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane
CID 12068613

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3,5-dimethoxyphenyl)ethanolate?
The IUPAC name of sodium 2-(3,5-dimethoxyphenyl)ethanolate (CID 175142417) is sodium 2-(3,5-dimethoxyphenyl)ethanolate.
What is the SMILES notation for sodium 2-(3,5-dimethoxyphenyl)ethanolate?
The canonical SMILES for sodium 2-(3,5-dimethoxyphenyl)ethanolate is COc1cc(CC[O-])cc(OC)c1.[Na+].
What is the InChIKey of sodium 2-(3,5-dimethoxyphenyl)ethanolate?
The InChIKey is CNDHTZQRBSFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3.Na/c1-12-9-5-8(3-4-11)6-10(7-9)13-2;/h5-7H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of sodium 2-(3,5-dimethoxyphenyl)ethanolate?
sodium 2-(3,5-dimethoxyphenyl)ethanolate has a molecular weight of 204.20 g/mol, XLogP of -2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3,5-dimethoxyphenyl)ethanolate is sourced from PubChem (CID 175142417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).