butane-2,3-diol;2-phenylethanol

C12H20O3 — CID 175116943

IUPACbutane-2,3-diol;2-phenylethanol
SMILESCC(O)C(C)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C4H10O2/c9-7-6-8-4-2-1-3-5-8;1-3(5)4(2)6/h1-5,9H,6-7H2;3-6H,1-2H3
InChIKeyGJDIPGMRXDNKRE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.97
Rot. Bonds3

About butane-2,3-diol;2-phenylethanol

butane-2,3-diol;2-phenylethanol (PubChem CID 175116943) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is butane-2,3-diol;2-phenylethanol.

Molecular Properties

Compound Namebutane-2,3-diol;2-phenylethanol
PubChem CID175116943
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namebutane-2,3-diol;2-phenylethanol
SMILESCC(O)C(C)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C4H10O2/c9-7-6-8-4-2-1-3-5-8;1-3(5)4(2)6/h1-5,9H,6-7H2;3-6H,1-2H3
InChIKeyGJDIPGMRXDNKRE-UHFFFAOYSA-N
XLogP0.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze butane-2,3-diol;2-phenylethanol 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

2-aminopropan-1-ol;2-phenylethanol
CID 174837900
1-phenoxyethanol;2-phenylethanol
CID 70376198
formaldehyde;2-phenylethanol
CID 143785167
2-phenylethanol;propanoic acid
CID 70495468
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
3-methyl-6-phenylhexan-2-ol
CID 54498182
2-(1-benzylpyridin-1-ium-4-yl)ethanol
CID 153354325
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-phenylethanol;sulfamic acid
CID 67854690
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methyl-4-phenylbutane-1,1-diol
CID 20647936

Frequently Asked Questions

What is the IUPAC name of butane-2,3-diol;2-phenylethanol?
The IUPAC name of butane-2,3-diol;2-phenylethanol (CID 175116943) is butane-2,3-diol;2-phenylethanol.
What is the SMILES notation for butane-2,3-diol;2-phenylethanol?
The canonical SMILES for butane-2,3-diol;2-phenylethanol is CC(O)C(C)O.OCCc1ccccc1.
What is the InChIKey of butane-2,3-diol;2-phenylethanol?
The InChIKey is GJDIPGMRXDNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H10O2/c9-7-6-8-4-2-1-3-5-8;1-3(5)4(2)6/h1-5,9H,6-7H2;3-6H,1-2H3.
What are the key properties of butane-2,3-diol;2-phenylethanol?
butane-2,3-diol;2-phenylethanol has a molecular weight of 212.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol;2-phenylethanol is sourced from PubChem (CID 175116943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).