2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol

C14H16O — CID 10954582

IUPAC2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol
SMILESCC(C)(O)C1=CC=CC2=CC=CC=C1C2
InChIInChI=1S/C14H16O/c1-14(2,15)13-9-5-7-11-6-3-4-8-12(13)10-11/h3-9,15H,10H2,1-2H3
InChIKeyZDQUTANYMAVXKK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.07
Rot. Bonds1

About 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol

2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol (PubChem CID 10954582) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol
PubChem CID10954582
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol
SMILESCC(C)(O)C1=CC=CC2=CC=CC=C1C2
InChIInChI=1S/C14H16O/c1-14(2,15)13-9-5-7-11-6-3-4-8-12(13)10-11/h3-9,15H,10H2,1-2H3
InChIKeyZDQUTANYMAVXKK-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol?
The IUPAC name of 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol (CID 10954582) is 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol?
The canonical SMILES for 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol is CC(C)(O)C1=CC=CC2=CC=CC=C1C2.
What is the InChIKey of 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol?
The InChIKey is ZDQUTANYMAVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-14(2,15)13-9-5-7-11-6-3-4-8-12(13)10-11/h3-9,15H,10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol?
2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)propan-2-ol is sourced from PubChem (CID 10954582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).