sodium 3-methoxyphenol

C7H8NaO2+ — CID 19079440

IUPACsodium 3-methoxyphenol
SMILESCOc1cccc(O)c1.[Na+]
InChIInChI=1S/C7H8O2.Na/c1-9-7-4-2-3-6(8)5-7;/h2-5,8H,1H3;/q;+1
InChIKeyIIHZUISTNNNXQQ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.60
Rot. Bonds1

About sodium 3-methoxyphenol

sodium 3-methoxyphenol (PubChem CID 19079440) has the molecular formula C7H8NaO2+ and a molecular weight of 147.13 g/mol. Its IUPAC name is sodium 3-methoxyphenol.

Molecular Properties

Compound Namesodium 3-methoxyphenol
PubChem CID19079440
Molecular FormulaC7H8NaO2+
Molecular Weight147.13 g/mol
Exact Mass147.04
IUPAC Namesodium 3-methoxyphenol
SMILESCOc1cccc(O)c1.[Na+]
InChIInChI=1S/C7H8O2.Na/c1-9-7-4-2-3-6(8)5-7;/h2-5,8H,1H3;/q;+1
InChIKeyIIHZUISTNNNXQQ-UHFFFAOYSA-N
XLogP-1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methoxyphenol
CID 142018283
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
CID 117221199
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
3-[2-(4-methoxyphenyl)ethynyl]phenol
CID 53439775
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455

Frequently Asked Questions

What is the IUPAC name of sodium 3-methoxyphenol?
The IUPAC name of sodium 3-methoxyphenol (CID 19079440) is sodium 3-methoxyphenol.
What is the SMILES notation for sodium 3-methoxyphenol?
The canonical SMILES for sodium 3-methoxyphenol is COc1cccc(O)c1.[Na+].
What is the InChIKey of sodium 3-methoxyphenol?
The InChIKey is IIHZUISTNNNXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.Na/c1-9-7-4-2-3-6(8)5-7;/h2-5,8H,1H3;/q;+1.
What are the key properties of sodium 3-methoxyphenol?
sodium 3-methoxyphenol has a molecular weight of 147.13 g/mol, XLogP of -1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-methoxyphenol is sourced from PubChem (CID 19079440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).