2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol

C24H20O5 — CID 163620263

IUPAC2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol
SMILESOCCOc1cc2oc3cc(OCCO)c4ccccc4c3c2c2ccccc12
InChIInChI=1S/C24H20O5/c25-9-11-27-19-13-21-23(17-7-3-1-5-15(17)19)24-18-8-4-2-6-16(18)20(28-12-10-26)14-22(24)29-21/h1-8,13-14,25-26H,9-12H2
InChIKeyHNNCLBGJLHWZEP-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.63
Rot. Bonds6

About 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol

2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol (PubChem CID 163620263) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol
PubChem CID163620263
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol
SMILESOCCOc1cc2oc3cc(OCCO)c4ccccc4c3c2c2ccccc12
InChIInChI=1S/C24H20O5/c25-9-11-27-19-13-21-23(17-7-3-1-5-15(17)19)24-18-8-4-2-6-16(18)20(28-12-10-26)14-22(24)29-21/h1-8,13-14,25-26H,9-12H2
InChIKeyHNNCLBGJLHWZEP-UHFFFAOYSA-N
XLogP4.63
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol with MolForge

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Related Compounds

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2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
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Frequently Asked Questions

What is the IUPAC name of 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol?
The IUPAC name of 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol (CID 163620263) is 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol.
What is the SMILES notation for 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol?
The canonical SMILES for 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol is OCCOc1cc2oc3cc(OCCO)c4ccccc4c3c2c2ccccc12.
What is the InChIKey of 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol?
The InChIKey is HNNCLBGJLHWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c25-9-11-27-19-13-21-23(17-7-3-1-5-15(17)19)24-18-8-4-2-6-16(18)20(28-12-10-26)14-22(24)29-21/h1-8,13-14,25-26H,9-12H2.
What are the key properties of 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol?
2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol has a molecular weight of 388.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol is sourced from PubChem (CID 163620263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).