CID 172760983

C10H14Na2O3 — CID 172760983

IUPAC—
SMILESOCC(O)COCc1ccccc1.[Na].[Na]
InChIInChI=1S/C10H14O3.2Na/c11-6-10(12)8-13-7-9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;;
InChIKeyLRHAFMLBPBLMGM-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.21
Rot. Bonds5

About CID 172760983

CID 172760983 (PubChem CID 172760983) has the molecular formula C10H14Na2O3 and a molecular weight of 228.20 g/mol.

Molecular Properties

Compound NameCID 172760983
PubChem CID172760983
Molecular FormulaC10H14Na2O3
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name—
SMILESOCC(O)COCc1ccccc1.[Na].[Na]
InChIInChI=1S/C10H14O3.2Na/c11-6-10(12)8-13-7-9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;;
InChIKeyLRHAFMLBPBLMGM-UHFFFAOYSA-N
XLogP-0.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze CID 172760983 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of CID 172760983?
The IUPAC name of CID 172760983 (CID 172760983) is not available.
What is the SMILES notation for CID 172760983?
The canonical SMILES for CID 172760983 is OCC(O)COCc1ccccc1.[Na].[Na].
What is the InChIKey of CID 172760983?
The InChIKey is LRHAFMLBPBLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.2Na/c11-6-10(12)8-13-7-9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;;.
What are the key properties of CID 172760983?
CID 172760983 has a molecular weight of 228.20 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172760983 is sourced from PubChem (CID 172760983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).