(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate

C18H18Cl2O2P- — CID 141015941

IUPAC(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate
SMILESCCCCCOc1ccc(/P=C(\[O-])c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H19Cl2O2P/c1-2-3-4-12-22-13-8-10-14(11-9-13)23-18(21)17-15(19)6-5-7-16(17)20/h5-11,21H,2-4,12H2,1H3/p-1
InChIKeyMMRKKHJRJMUKTH-UHFFFAOYSA-M
MW368.22 g/mol
LogP4.67
Rot. Bonds7

About (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate

(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate (PubChem CID 141015941) has the molecular formula C18H18Cl2O2P- and a molecular weight of 368.22 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate
PubChem CID141015941
Molecular FormulaC18H18Cl2O2P-
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate
SMILESCCCCCOc1ccc(/P=C(\[O-])c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H19Cl2O2P/c1-2-3-4-12-22-13-8-10-14(11-9-13)23-18(21)17-15(19)6-5-7-16(17)20/h5-11,21H,2-4,12H2,1H3/p-1
InChIKeyMMRKKHJRJMUKTH-UHFFFAOYSA-M
XLogP4.67
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
1,4-dipentoxybenzene
CID 18314717
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
(4-hexoxyphenyl) 2-chlorobenzoate
CID 4230058
(2,6-dimethylphenyl)-(2,4-dipentoxyphenyl)phosphanylidenemethanolate
CID 141015913
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2,6-dimethylphenyl)-(2,4,6-tributoxyphenyl)phosphanylidenemethanolate
CID 141016517

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate?
The IUPAC name of (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate (CID 141015941) is (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate?
The canonical SMILES for (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate is CCCCCOc1ccc(/P=C(\[O-])c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate?
The InChIKey is MMRKKHJRJMUKTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19Cl2O2P/c1-2-3-4-12-22-13-8-10-14(11-9-13)23-18(21)17-15(19)6-5-7-16(17)20/h5-11,21H,2-4,12H2,1H3/p-1.
What are the key properties of (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate?
(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate has a molecular weight of 368.22 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylidenemethanolate is sourced from PubChem (CID 141015941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).