[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite

C15H23Cl2O5P — CID 67736659

IUPAC[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite
SMILESCCCCCOc1cccc(OCC(Cl)C(Cl)COP(O)O)c1
InChIInChI=1S/C15H23Cl2O5P/c1-2-3-4-8-20-12-6-5-7-13(9-12)21-10-14(16)15(17)11-22-23(18)19/h5-7,9,14-15,18-19H,2-4,8,10-11H2,1H3
InChIKeyFYHTXBCNFSGPEA-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.08
Rot. Bonds12

About [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite

[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite (PubChem CID 67736659) has the molecular formula C15H23Cl2O5P and a molecular weight of 385.22 g/mol. Its IUPAC name is [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite
PubChem CID67736659
Molecular FormulaC15H23Cl2O5P
Molecular Weight385.22 g/mol
Exact Mass384.07
IUPAC Name[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite
SMILESCCCCCOc1cccc(OCC(Cl)C(Cl)COP(O)O)c1
InChIInChI=1S/C15H23Cl2O5P/c1-2-3-4-8-20-12-6-5-7-13(9-12)21-10-14(16)15(17)11-22-23(18)19/h5-7,9,14-15,18-19H,2-4,8,10-11H2,1H3
InChIKeyFYHTXBCNFSGPEA-UHFFFAOYSA-N
XLogP4.08
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,3-dichloro-4-(3-methyl-5-pentoxyphenoxy)butyl] dihydrogen phosphite
CID 67736809
1,3-dihexadecoxybenzene
CID 12686834
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
3-dodecoxyphenol
CID 15719132
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
CID 68744497
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-octoxy-N-propan-2-ylaniline
CID 139718157

Frequently Asked Questions

What is the IUPAC name of [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite?
The IUPAC name of [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite (CID 67736659) is [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite.
What is the SMILES notation for [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite?
The canonical SMILES for [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite is CCCCCOc1cccc(OCC(Cl)C(Cl)COP(O)O)c1.
What is the InChIKey of [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite?
The InChIKey is FYHTXBCNFSGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2O5P/c1-2-3-4-8-20-12-6-5-7-13(9-12)21-10-14(16)15(17)11-22-23(18)19/h5-7,9,14-15,18-19H,2-4,8,10-11H2,1H3.
What are the key properties of [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite?
[2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite has a molecular weight of 385.22 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dichloro-4-(3-pentoxyphenoxy)butyl] dihydrogen phosphite is sourced from PubChem (CID 67736659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).