2-(3-phenylpropyl)phenolate

C15H15O- — CID 123450771

IUPAC2-(3-phenylpropyl)phenolate
SMILES[O-]c1ccccc1CCCc1ccccc1
InChIInChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,16H,6,9,11H2/p-1
InChIKeyJSGXYACZKHCRTI-UHFFFAOYSA-M
MW211.28 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-phenylpropyl)phenolate

2-(3-phenylpropyl)phenolate (PubChem CID 123450771) has the molecular formula C15H15O- and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-phenylpropyl)phenolate.

Molecular Properties

Compound Name2-(3-phenylpropyl)phenolate
PubChem CID123450771
Molecular FormulaC15H15O-
Molecular Weight211.28 g/mol
Exact Mass211.11
IUPAC Name2-(3-phenylpropyl)phenolate
SMILES[O-]c1ccccc1CCCc1ccccc1
InChIInChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,16H,6,9,11H2/p-1
InChIKeyJSGXYACZKHCRTI-UHFFFAOYSA-M
XLogP2.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
CID 102306107
4-phenylbutylbenzene
CID 141301927
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
cadmium(2+);bis(2-undecylphenolate)
CID 101292618
barium(2+);bis(2-decylphenolate)
CID 101292606
lithium 2-octylphenolate
CID 23700762
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
2-(12-phenyldodecyl)phenol
CID 70505621
1-methylsulfanyl-2-(3-phenylpropyl)benzene
CID 174929017

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)phenolate?
The IUPAC name of 2-(3-phenylpropyl)phenolate (CID 123450771) is 2-(3-phenylpropyl)phenolate.
What is the SMILES notation for 2-(3-phenylpropyl)phenolate?
The canonical SMILES for 2-(3-phenylpropyl)phenolate is [O-]c1ccccc1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)phenolate?
The InChIKey is JSGXYACZKHCRTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,16H,6,9,11H2/p-1.
What are the key properties of 2-(3-phenylpropyl)phenolate?
2-(3-phenylpropyl)phenolate has a molecular weight of 211.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)phenolate is sourced from PubChem (CID 123450771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).