[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate

C14H19ClO4 — CID 171485500

IUPAC[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate
SMILESCCOCC(c1ccccc1Cl)C(OC=O)OCC
InChIInChI=1S/C14H19ClO4/c1-3-17-9-12(14(18-4-2)19-10-16)11-7-5-6-8-13(11)15/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyBOOJCXPGWVBHLY-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.00
Rot. Bonds9

About [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate

[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate (PubChem CID 171485500) has the molecular formula C14H19ClO4 and a molecular weight of 286.75 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate
PubChem CID171485500
Molecular FormulaC14H19ClO4
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate
SMILESCCOCC(c1ccccc1Cl)C(OC=O)OCC
InChIInChI=1S/C14H19ClO4/c1-3-17-9-12(14(18-4-2)19-10-16)11-7-5-6-8-13(11)15/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyBOOJCXPGWVBHLY-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
1,2-dichlorobenzene;ethoxyethane
CID 68845412
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859
2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
CID 88599323

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate (CID 171485500) is [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate is CCOCC(c1ccccc1Cl)C(OC=O)OCC.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate?
The InChIKey is BOOJCXPGWVBHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4/c1-3-17-9-12(14(18-4-2)19-10-16)11-7-5-6-8-13(11)15/h5-8,10,12,14H,3-4,9H2,1-2H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate?
[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate has a molecular weight of 286.75 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-diethoxypropyl] formate is sourced from PubChem (CID 171485500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).