3-(1-phenylpropyl)benzene-1,2-diol

C15H16O2 — CID 139729676

IUPAC3-(1-phenylpropyl)benzene-1,2-diol
SMILESCCC(c1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H16O2/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-14(16)15(13)17/h3-10,12,16-17H,2H2,1H3
InChIKeyWRLGGFDEUKAAFW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.64
Rot. Bonds3

About 3-(1-phenylpropyl)benzene-1,2-diol

3-(1-phenylpropyl)benzene-1,2-diol (PubChem CID 139729676) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(1-phenylpropyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(1-phenylpropyl)benzene-1,2-diol
PubChem CID139729676
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-(1-phenylpropyl)benzene-1,2-diol
SMILESCCC(c1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C15H16O2/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-14(16)15(13)17/h3-10,12,16-17H,2H2,1H3
InChIKeyWRLGGFDEUKAAFW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885
3-(1,3-diphenylpropyl)benzene-1,2-diol
CID 54385073
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
2-[1-(4-tert-butylphenyl)propyl]phenol
CID 174617278
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
3-(2-hydroxypentan-3-yl)benzene-1,2-diol
CID 174450984
3-(1-trimethylsilylpropyl)benzene-1,2-diol
CID 174652622
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
oxalic acid;1-phenylpropylbenzene
CID 67824543

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropyl)benzene-1,2-diol?
The IUPAC name of 3-(1-phenylpropyl)benzene-1,2-diol (CID 139729676) is 3-(1-phenylpropyl)benzene-1,2-diol.
What is the SMILES notation for 3-(1-phenylpropyl)benzene-1,2-diol?
The canonical SMILES for 3-(1-phenylpropyl)benzene-1,2-diol is CCC(c1ccccc1)c1cccc(O)c1O.
What is the InChIKey of 3-(1-phenylpropyl)benzene-1,2-diol?
The InChIKey is WRLGGFDEUKAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-14(16)15(13)17/h3-10,12,16-17H,2H2,1H3.
What are the key properties of 3-(1-phenylpropyl)benzene-1,2-diol?
3-(1-phenylpropyl)benzene-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpropyl)benzene-1,2-diol is sourced from PubChem (CID 139729676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).