2-phenyl-3-propoxyphenol

C15H16O2 — CID 155695054

IUPAC2-phenyl-3-propoxyphenol
SMILESCCCOc1cccc(O)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-2-11-17-14-10-6-9-13(16)15(14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3
InChIKeyCNPNEIUKSFKWEO-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.85
Rot. Bonds4

About 2-phenyl-3-propoxyphenol

2-phenyl-3-propoxyphenol (PubChem CID 155695054) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-phenyl-3-propoxyphenol.

Molecular Properties

Compound Name2-phenyl-3-propoxyphenol
PubChem CID155695054
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-phenyl-3-propoxyphenol
SMILESCCCOc1cccc(O)c1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-2-11-17-14-10-6-9-13(16)15(14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3
InChIKeyCNPNEIUKSFKWEO-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propoxyphenol?
The IUPAC name of 2-phenyl-3-propoxyphenol (CID 155695054) is 2-phenyl-3-propoxyphenol.
What is the SMILES notation for 2-phenyl-3-propoxyphenol?
The canonical SMILES for 2-phenyl-3-propoxyphenol is CCCOc1cccc(O)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-propoxyphenol?
The InChIKey is CNPNEIUKSFKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-11-17-14-10-6-9-13(16)15(14)12-7-4-3-5-8-12/h3-10,16H,2,11H2,1H3.
What are the key properties of 2-phenyl-3-propoxyphenol?
2-phenyl-3-propoxyphenol has a molecular weight of 228.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propoxyphenol is sourced from PubChem (CID 155695054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).