2-phenyl-3-propylbenzene-1,4-diol

C15H16O2 — CID 118690325

IUPAC2-phenyl-3-propylbenzene-1,4-diol
SMILESCCCc1c(O)ccc(O)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-2-6-12-13(16)9-10-14(17)15(12)11-7-4-3-5-8-11/h3-5,7-10,16-17H,2,6H2,1H3
InChIKeyOWBBKSORQDLSSW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.72
Rot. Bonds3

About 2-phenyl-3-propylbenzene-1,4-diol

2-phenyl-3-propylbenzene-1,4-diol (PubChem CID 118690325) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-phenyl-3-propylbenzene-1,4-diol.

Molecular Properties

Compound Name2-phenyl-3-propylbenzene-1,4-diol
PubChem CID118690325
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-phenyl-3-propylbenzene-1,4-diol
SMILESCCCc1c(O)ccc(O)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-2-6-12-13(16)9-10-14(17)15(12)11-7-4-3-5-8-11/h3-5,7-10,16-17H,2,6H2,1H3
InChIKeyOWBBKSORQDLSSW-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propylbenzene-1,4-diol?
The IUPAC name of 2-phenyl-3-propylbenzene-1,4-diol (CID 118690325) is 2-phenyl-3-propylbenzene-1,4-diol.
What is the SMILES notation for 2-phenyl-3-propylbenzene-1,4-diol?
The canonical SMILES for 2-phenyl-3-propylbenzene-1,4-diol is CCCc1c(O)ccc(O)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-propylbenzene-1,4-diol?
The InChIKey is OWBBKSORQDLSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-6-12-13(16)9-10-14(17)15(12)11-7-4-3-5-8-11/h3-5,7-10,16-17H,2,6H2,1H3.
What are the key properties of 2-phenyl-3-propylbenzene-1,4-diol?
2-phenyl-3-propylbenzene-1,4-diol has a molecular weight of 228.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propylbenzene-1,4-diol is sourced from PubChem (CID 118690325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).