1-phenylmethoxyethanol;propane-1,2,3-triol

C12H20O5 — CID 157415371

IUPAC1-phenylmethoxyethanol;propane-1,2,3-triol
SMILESCC(O)OCc1ccccc1.OCC(O)CO
InChIInChI=1S/C9H12O2.C3H8O3/c1-8(10)11-7-9-5-3-2-4-6-9;4-1-3(6)2-5/h2-6,8,10H,7H2,1H3;3-6H,1-2H2
InChIKeyBOTZIDODFNXJHK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.13
Rot. Bonds5

About 1-phenylmethoxyethanol;propane-1,2,3-triol

1-phenylmethoxyethanol;propane-1,2,3-triol (PubChem CID 157415371) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-phenylmethoxyethanol;propane-1,2,3-triol.

Molecular Properties

Compound Name1-phenylmethoxyethanol;propane-1,2,3-triol
PubChem CID157415371
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name1-phenylmethoxyethanol;propane-1,2,3-triol
SMILESCC(O)OCc1ccccc1.OCC(O)CO
InChIInChI=1S/C9H12O2.C3H8O3/c1-8(10)11-7-9-5-3-2-4-6-9;4-1-3(6)2-5/h2-6,8,10H,7H2,1H3;3-6H,1-2H2
InChIKeyBOTZIDODFNXJHK-UHFFFAOYSA-N
XLogP-0.13
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxyethanol;propane-1,2,3-triol 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

(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
1-[[4-(hydroxymethyl)phenyl]methoxy]ethanol
CID 58225169
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
2-methyl-4-phenylmethoxyhexane-1,3,5-triol
CID 123316682
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyethanol;propane-1,2,3-triol?
The IUPAC name of 1-phenylmethoxyethanol;propane-1,2,3-triol (CID 157415371) is 1-phenylmethoxyethanol;propane-1,2,3-triol.
What is the SMILES notation for 1-phenylmethoxyethanol;propane-1,2,3-triol?
The canonical SMILES for 1-phenylmethoxyethanol;propane-1,2,3-triol is CC(O)OCc1ccccc1.OCC(O)CO.
What is the InChIKey of 1-phenylmethoxyethanol;propane-1,2,3-triol?
The InChIKey is BOTZIDODFNXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C3H8O3/c1-8(10)11-7-9-5-3-2-4-6-9;4-1-3(6)2-5/h2-6,8,10H,7H2,1H3;3-6H,1-2H2.
What are the key properties of 1-phenylmethoxyethanol;propane-1,2,3-triol?
1-phenylmethoxyethanol;propane-1,2,3-triol has a molecular weight of 244.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyethanol;propane-1,2,3-triol is sourced from PubChem (CID 157415371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).