2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol

C15H16O3 — CID 10562254

IUPAC2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C(C)(O)c2ccccc2)cc1O
InChIInChI=1S/C15H16O3/c1-10-8-14(17)12(9-13(10)16)15(2,18)11-6-4-3-5-7-11/h3-9,16-18H,1-2H3
InChIKeyFOFOZPAKWVUPKV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds2

About 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol

2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol (PubChem CID 10562254) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
PubChem CID10562254
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C(C)(O)c2ccccc2)cc1O
InChIInChI=1S/C15H16O3/c1-10-8-14(17)12(9-13(10)16)15(2,18)11-6-4-3-5-7-11/h3-9,16-18H,1-2H3
InChIKeyFOFOZPAKWVUPKV-UHFFFAOYSA-N
XLogP2.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxy-1-phenylpropyl)-5-methylbenzene-1,4-diol
CID 10491430
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387
(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
CID 164669380
4-[1-(4-hydroxy-3-methylphenyl)-1-phenylethyl]benzene-1,3-diol
CID 139838653
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
benzoic acid;4-tert-butyl-6-methylbenzene-1,3-diol
CID 174980264
1-anthracen-1-yl-1-phenylethanol
CID 2793943
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol?
The IUPAC name of 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol (CID 10562254) is 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol is Cc1cc(O)c(C(C)(O)c2ccccc2)cc1O.
What is the InChIKey of 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol?
The InChIKey is FOFOZPAKWVUPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-8-14(17)12(9-13(10)16)15(2,18)11-6-4-3-5-7-11/h3-9,16-18H,1-2H3.
What are the key properties of 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol?
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol has a molecular weight of 244.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol is sourced from PubChem (CID 10562254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).