1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol

C14H23ClO4 — CID 22382209

IUPAC1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOc1ccccc1Cl.OCCOCCO
InChIInChI=1S/C10H13ClO.C4H10O3/c1-2-3-8-12-10-7-5-4-6-9(10)11;5-1-3-7-4-2-6/h4-7H,2-3,8H2,1H3;5-6H,1-4H2
InChIKeyTVDHBGHOZJHRRC-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.51
Rot. Bonds8

About 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol

1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol (PubChem CID 22382209) has the molecular formula C14H23ClO4 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
PubChem CID22382209
Molecular FormulaC14H23ClO4
Molecular Weight290.79 g/mol
Exact Mass290.13
IUPAC Name1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOc1ccccc1Cl.OCCOCCO
InChIInChI=1S/C10H13ClO.C4H10O3/c1-2-3-8-12-10-7-5-4-6-9(10)11;5-1-3-7-4-2-6/h4-7H,2-3,8H2,1H3;5-6H,1-4H2
InChIKeyTVDHBGHOZJHRRC-UHFFFAOYSA-N
XLogP2.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54801671
2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol
CID 70975521
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
2-(2-butoxyethoxy)-6-chloroaniline
CID 104834987
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
CID 114319540
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol (CID 22382209) is 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol is CCCCOc1ccccc1Cl.OCCOCCO.
What is the InChIKey of 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol?
The InChIKey is TVDHBGHOZJHRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO.C4H10O3/c1-2-3-8-12-10-7-5-4-6-9(10)11;5-1-3-7-4-2-6/h4-7H,2-3,8H2,1H3;5-6H,1-4H2.
What are the key properties of 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol?
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol has a molecular weight of 290.79 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 22382209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).