lithium 3-(4-phenylmethoxyphenyl)propan-1-olate

C16H17LiO2 — CID 70590872

IUPAClithium 3-(4-phenylmethoxyphenyl)propan-1-olate
SMILES[Li+].[O-]CCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17O2.Li/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-13H2;/q-1;+1
InChIKeyDCMHURSTXFBZQK-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.44
Rot. Bonds6

About lithium 3-(4-phenylmethoxyphenyl)propan-1-olate

lithium 3-(4-phenylmethoxyphenyl)propan-1-olate (PubChem CID 70590872) has the molecular formula C16H17LiO2 and a molecular weight of 248.25 g/mol. Its IUPAC name is lithium 3-(4-phenylmethoxyphenyl)propan-1-olate.

Molecular Properties

Compound Namelithium 3-(4-phenylmethoxyphenyl)propan-1-olate
PubChem CID70590872
Molecular FormulaC16H17LiO2
Molecular Weight248.25 g/mol
Exact Mass248.14
IUPAC Namelithium 3-(4-phenylmethoxyphenyl)propan-1-olate
SMILES[Li+].[O-]CCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17O2.Li/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-13H2;/q-1;+1
InChIKeyDCMHURSTXFBZQK-UHFFFAOYSA-N
XLogP-0.44
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
1-[5-(benzenesulfonyl)pentyl]-4-phenylmethoxybenzene;ethane
CID 155721797
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine
CID 110612296

Frequently Asked Questions

What is the IUPAC name of lithium 3-(4-phenylmethoxyphenyl)propan-1-olate?
The IUPAC name of lithium 3-(4-phenylmethoxyphenyl)propan-1-olate (CID 70590872) is lithium 3-(4-phenylmethoxyphenyl)propan-1-olate.
What is the SMILES notation for lithium 3-(4-phenylmethoxyphenyl)propan-1-olate?
The canonical SMILES for lithium 3-(4-phenylmethoxyphenyl)propan-1-olate is [Li+].[O-]CCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of lithium 3-(4-phenylmethoxyphenyl)propan-1-olate?
The InChIKey is DCMHURSTXFBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2.Li/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-13H2;/q-1;+1.
What are the key properties of lithium 3-(4-phenylmethoxyphenyl)propan-1-olate?
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate has a molecular weight of 248.25 g/mol, XLogP of -0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(4-phenylmethoxyphenyl)propan-1-olate is sourced from PubChem (CID 70590872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).