1-diphenylphosphoryl-3-ethyl-2-methoxybenzene

C21H21O2P — CID 11151842

IUPAC1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C21H21O2P/c1-3-17-11-10-16-20(21(17)23-2)24(22,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,3H2,1-2H3
InChIKeySZKRSLDANOCJHM-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.90
Rot. Bonds5

About 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene

1-diphenylphosphoryl-3-ethyl-2-methoxybenzene (PubChem CID 11151842) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
PubChem CID11151842
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
SMILESCCc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C21H21O2P/c1-3-17-11-10-16-20(21(17)23-2)24(22,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,3H2,1-2H3
InChIKeySZKRSLDANOCJHM-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
1-(chloromethyl)-2-diphenylphosphorylbenzene
CID 152708651
2-diphenylphosphoryl-6-methoxy-N-propylaniline
CID 175667588
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-(3-ethyl-2-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 118330551
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene?
The IUPAC name of 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene (CID 11151842) is 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene?
The canonical SMILES for 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene is CCc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene?
The InChIKey is SZKRSLDANOCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P/c1-3-17-11-10-16-20(21(17)23-2)24(22,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,3H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene?
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene has a molecular weight of 336.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-3-ethyl-2-methoxybenzene is sourced from PubChem (CID 11151842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).