1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol

C15H17ClN2O3 — CID 79733728

IUPAC1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C15H17ClN2O3/c1-2-18-4-3-17-14(18)9-12(19)10-7-11(16)15-13(8-10)20-5-6-21-15/h3-4,7-8,12,19H,2,5-6,9H2,1H3
InChIKeyONHKCACZGDPIQC-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 79733728) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID79733728
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C15H17ClN2O3/c1-2-18-4-3-17-14(18)9-12(19)10-7-11(16)15-13(8-10)20-5-6-21-15/h3-4,7-8,12,19H,2,5-6,9H2,1H3
InChIKeyONHKCACZGDPIQC-UHFFFAOYSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol with MolForge

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Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79733351
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methylimidazol-2-yl)methanol
CID 63975992
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009061
1-(7-chloro-1,3-benzodioxol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63895802
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-methylhexan-1-ol
CID 83158621
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)hexan-1-ol
CID 65151139
2-(1-ethylimidazol-2-yl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 79744333
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105112405
1-(4-cyclopropylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79980251
(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-ethylimidazol-2-yl)methanol
CID 63976688

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 79733728) is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is ONHKCACZGDPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-18-4-3-17-14(18)9-12(19)10-7-11(16)15-13(8-10)20-5-6-21-15/h3-4,7-8,12,19H,2,5-6,9H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 308.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 79733728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).