2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol

C22H23O3P — CID 175039386

IUPAC2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)COP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-2-18-13-15-19(16-14-18)22(23)17-25-26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22-23H,2,17H2,1H3
InChIKeyPJPNBGPZJVEBCF-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.23
Rot. Bonds7

About 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol

2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol (PubChem CID 175039386) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol
PubChem CID175039386
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)COP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-2-18-13-15-19(16-14-18)22(23)17-25-26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22-23H,2,17H2,1H3
InChIKeyPJPNBGPZJVEBCF-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.23
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

(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
CID 175038346
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(3S)-1-diphenylphosphoryloxy-3-(methylamino)pentan-2-one
CID 59924092
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol?
The IUPAC name of 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol (CID 175039386) is 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol is CCc1ccc(C(O)COP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol?
The InChIKey is PJPNBGPZJVEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O3P/c1-2-18-13-15-19(16-14-18)22(23)17-25-26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22-23H,2,17H2,1H3.
What are the key properties of 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol?
2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol has a molecular weight of 366.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol is sourced from PubChem (CID 175039386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).