2-(2-phenylethyl)phenol;hydrate

C14H16O2 — CID 157150935

IUPAC2-(2-phenylethyl)phenol;hydrate
SMILESO.Oc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H14O.H2O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;/h1-9,15H,10-11H2;1H2
InChIKeyFGXXMVLRUMBJBX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-phenylethyl)phenol;hydrate

2-(2-phenylethyl)phenol;hydrate (PubChem CID 157150935) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-phenylethyl)phenol;hydrate.

Molecular Properties

Compound Name2-(2-phenylethyl)phenol;hydrate
PubChem CID157150935
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(2-phenylethyl)phenol;hydrate
SMILESO.Oc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H14O.H2O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;/h1-9,15H,10-11H2;1H2
InChIKeyFGXXMVLRUMBJBX-UHFFFAOYSA-N
XLogP2.35
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-benzylphenol;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)phenol;hydrate?
The IUPAC name of 2-(2-phenylethyl)phenol;hydrate (CID 157150935) is 2-(2-phenylethyl)phenol;hydrate.
What is the SMILES notation for 2-(2-phenylethyl)phenol;hydrate?
The canonical SMILES for 2-(2-phenylethyl)phenol;hydrate is O.Oc1ccccc1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)phenol;hydrate?
The InChIKey is FGXXMVLRUMBJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.H2O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;/h1-9,15H,10-11H2;1H2.
What are the key properties of 2-(2-phenylethyl)phenol;hydrate?
2-(2-phenylethyl)phenol;hydrate has a molecular weight of 216.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)phenol;hydrate is sourced from PubChem (CID 157150935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).