8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

C18H24O2 — CID 62800401

IUPAC8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCOc1ccccc1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C18H24O2/c1-2-20-17-9-4-3-8-15(17)18(19)11-12-10-16(18)14-7-5-6-13(12)14/h3-4,8-9,12-14,16,19H,2,5-7,10-11H2,1H3
InChIKeyIBOMGUSFCMNNPM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.73
Rot. Bonds3

About 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 62800401) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID62800401
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCOc1ccccc1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C18H24O2/c1-2-20-17-9-4-3-8-15(17)18(19)11-12-10-16(18)14-7-5-6-13(12)14/h3-4,8-9,12-14,16,19H,2,5-7,10-11H2,1H3
InChIKeyIBOMGUSFCMNNPM-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (CID 62800401) is 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is CCOc1ccccc1C1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is IBOMGUSFCMNNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-20-17-9-4-3-8-15(17)18(19)11-12-10-16(18)14-7-5-6-13(12)14/h3-4,8-9,12-14,16,19H,2,5-7,10-11H2,1H3.
What are the key properties of 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 272.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 62800401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).