6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C17H24O2 — CID 65166206

IUPAC6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1CCC1CCCO1
InChIInChI=1S/C17H24O2/c18-17-14(10-11-15-8-4-12-19-15)7-3-6-13-5-1-2-9-16(13)17/h1-2,5,9,14-15,17-18H,3-4,6-8,10-12H2
InChIKeyHECVTYBKKHAOAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds3

About 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 65166206) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID65166206
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1CCC1CCCO1
InChIInChI=1S/C17H24O2/c18-17-14(10-11-15-8-4-12-19-15)7-3-6-13-5-1-2-9-16(13)17/h1-2,5,9,14-15,17-18H,3-4,6-8,10-12H2
InChIKeyHECVTYBKKHAOAF-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 65166206) is 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1CCC1CCCO1.
What is the InChIKey of 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is HECVTYBKKHAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-17-14(10-11-15-8-4-12-19-15)7-3-6-13-5-1-2-9-16(13)17/h1-2,5,9,14-15,17-18H,3-4,6-8,10-12H2.
What are the key properties of 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 260.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 65166206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).