4-(1-phenylpropan-2-yl)benzene-1,3-diol

C15H16O2 — CID 18459633

IUPAC4-(1-phenylpropan-2-yl)benzene-1,3-diol
SMILESCC(Cc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H16O2/c1-11(9-12-5-3-2-4-6-12)14-8-7-13(16)10-15(14)17/h2-8,10-11,16-17H,9H2,1H3
InChIKeyNGQMLDWNBTVAAC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.44
Rot. Bonds3

About 4-(1-phenylpropan-2-yl)benzene-1,3-diol

4-(1-phenylpropan-2-yl)benzene-1,3-diol (PubChem CID 18459633) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(1-phenylpropan-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-phenylpropan-2-yl)benzene-1,3-diol
PubChem CID18459633
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-(1-phenylpropan-2-yl)benzene-1,3-diol
SMILESCC(Cc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H16O2/c1-11(9-12-5-3-2-4-6-12)14-8-7-13(16)10-15(14)17/h2-8,10-11,16-17H,9H2,1H3
InChIKeyNGQMLDWNBTVAAC-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropan-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(1-phenylpropan-2-yl)benzene-1,3-diol (CID 18459633) is 4-(1-phenylpropan-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-phenylpropan-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1-phenylpropan-2-yl)benzene-1,3-diol is CC(Cc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-(1-phenylpropan-2-yl)benzene-1,3-diol?
The InChIKey is NGQMLDWNBTVAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(9-12-5-3-2-4-6-12)14-8-7-13(16)10-15(14)17/h2-8,10-11,16-17H,9H2,1H3.
What are the key properties of 4-(1-phenylpropan-2-yl)benzene-1,3-diol?
4-(1-phenylpropan-2-yl)benzene-1,3-diol has a molecular weight of 228.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropan-2-yl)benzene-1,3-diol is sourced from PubChem (CID 18459633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).