(2-ethylphenoxy)-methylphosphane

C9H13OP — CID 142904661

IUPAC(2-ethylphenoxy)-methylphosphane
SMILESCCc1ccccc1OPC
InChIInChI=1S/C9H13OP/c1-3-8-6-4-5-7-9(8)10-11-2/h4-7,11H,3H2,1-2H3
InChIKeyQPYNDSRKVAFQDS-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.85
Rot. Bonds3

About (2-ethylphenoxy)-methylphosphane

(2-ethylphenoxy)-methylphosphane (PubChem CID 142904661) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is (2-ethylphenoxy)-methylphosphane.

Molecular Properties

Compound Name(2-ethylphenoxy)-methylphosphane
PubChem CID142904661
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name(2-ethylphenoxy)-methylphosphane
SMILESCCc1ccccc1OPC
InChIInChI=1S/C9H13OP/c1-3-8-6-4-5-7-9(8)10-11-2/h4-7,11H,3H2,1-2H3
InChIKeyQPYNDSRKVAFQDS-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 70628268
CID 70628268
1-ethyl-2-(trioxidanyl)benzene
CID 54124310
1-(2-ethylphenoxy)naphthalene
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1-ethyl-2-heptoxybenzene
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(2-ethylphenyl) ethanesulfonate
CID 141068945
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
1,2-diethylbenzene;hydrobromide
CID 174973685
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
1-(2-ethylphenoxy)ethanol
CID 154419184
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenoxy)-methylphosphane?
The IUPAC name of (2-ethylphenoxy)-methylphosphane (CID 142904661) is (2-ethylphenoxy)-methylphosphane.
What is the SMILES notation for (2-ethylphenoxy)-methylphosphane?
The canonical SMILES for (2-ethylphenoxy)-methylphosphane is CCc1ccccc1OPC.
What is the InChIKey of (2-ethylphenoxy)-methylphosphane?
The InChIKey is QPYNDSRKVAFQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OP/c1-3-8-6-4-5-7-9(8)10-11-2/h4-7,11H,3H2,1-2H3.
What are the key properties of (2-ethylphenoxy)-methylphosphane?
(2-ethylphenoxy)-methylphosphane has a molecular weight of 168.18 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenoxy)-methylphosphane is sourced from PubChem (CID 142904661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).