1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol

C28H35O3P — CID 71039825

IUPAC1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3
InChIKeyLIQPQXAEKKKFBL-UHFFFAOYSA-N
MW450.56 g/mol
LogP6.66
Rot. Bonds10

About 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol

1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol (PubChem CID 71039825) has the molecular formula C28H35O3P and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
PubChem CID71039825
Molecular FormulaC28H35O3P
Molecular Weight450.56 g/mol
Exact Mass450.23
IUPAC Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3
InChIKeyLIQPQXAEKKKFBL-UHFFFAOYSA-N
XLogP6.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
CID 71191593
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
CID 71040018

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol (CID 71039825) is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol is CCC(CC)(Pc1ccc(C)cc1C(C)O)c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
The InChIKey is LIQPQXAEKKKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35O3P/c1-6-28(7-2,32-27-16-13-20(3)17-24(27)21(4)29)25-18-23(30-5)14-15-26(25)31-19-22-11-9-8-10-12-22/h8-18,21,29,32H,6-7,19H2,1-5H3.
What are the key properties of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol?
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol has a molecular weight of 450.56 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol is sourced from PubChem (CID 71039825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).