1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene

C16H18ClO4P — CID 156789195

IUPAC1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(=O)(OCCCl)c1ccccc1OC
InChIInChI=1S/C16H18ClO4P/c1-19-13-7-3-5-9-15(13)22(18,21-12-11-17)16-10-6-4-8-14(16)20-2/h3-10H,11-12H2,1-2H3
InChIKeyLQIUIANLTPSTNR-UHFFFAOYSA-N
MW340.74 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene

1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene (PubChem CID 156789195) has the molecular formula C16H18ClO4P and a molecular weight of 340.74 g/mol. Its IUPAC name is 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
PubChem CID156789195
Molecular FormulaC16H18ClO4P
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Name1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(=O)(OCCCl)c1ccccc1OC
InChIInChI=1S/C16H18ClO4P/c1-19-13-7-3-5-9-15(13)22(18,21-12-11-17)16-10-6-4-8-14(16)20-2/h3-10H,11-12H2,1-2H3
InChIKeyLQIUIANLTPSTNR-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The IUPAC name of 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene (CID 156789195) is 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The canonical SMILES for 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene is COc1ccccc1P(=O)(OCCCl)c1ccccc1OC.
What is the InChIKey of 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The InChIKey is LQIUIANLTPSTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClO4P/c1-19-13-7-3-5-9-15(13)22(18,21-12-11-17)16-10-6-4-8-14(16)20-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene has a molecular weight of 340.74 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene is sourced from PubChem (CID 156789195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).