1,2-di(azulen-1-yl)cyclopentane-1,2-diol

C25H22O2 — CID 72712956

IUPAC1,2-di(azulen-1-yl)cyclopentane-1,2-diol
SMILESOC1(c2ccc3cccccc2-3)CCCC1(O)c1ccc2cccccc1-2
InChIInChI=1S/C25H22O2/c26-24(22-14-12-18-8-3-1-5-10-20(18)22)16-7-17-25(24,27)23-15-13-19-9-4-2-6-11-21(19)23/h1-6,8-15,26-27H,7,16-17H2
InChIKeyJDODHQCPTRMIIZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.16
Rot. Bonds2

About 1,2-di(azulen-1-yl)cyclopentane-1,2-diol

1,2-di(azulen-1-yl)cyclopentane-1,2-diol (PubChem CID 72712956) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1,2-di(azulen-1-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name1,2-di(azulen-1-yl)cyclopentane-1,2-diol
PubChem CID72712956
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1,2-di(azulen-1-yl)cyclopentane-1,2-diol
SMILESOC1(c2ccc3cccccc2-3)CCCC1(O)c1ccc2cccccc1-2
InChIInChI=1S/C25H22O2/c26-24(22-14-12-18-8-3-1-5-10-20(18)22)16-7-17-25(24,27)23-15-13-19-9-4-2-6-11-21(19)23/h1-6,8-15,26-27H,7,16-17H2
InChIKeyJDODHQCPTRMIIZ-UHFFFAOYSA-N
XLogP5.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(azulen-1-yl)cyclopentane-1,2-diol?
The IUPAC name of 1,2-di(azulen-1-yl)cyclopentane-1,2-diol (CID 72712956) is 1,2-di(azulen-1-yl)cyclopentane-1,2-diol.
What is the SMILES notation for 1,2-di(azulen-1-yl)cyclopentane-1,2-diol?
The canonical SMILES for 1,2-di(azulen-1-yl)cyclopentane-1,2-diol is OC1(c2ccc3cccccc2-3)CCCC1(O)c1ccc2cccccc1-2.
What is the InChIKey of 1,2-di(azulen-1-yl)cyclopentane-1,2-diol?
The InChIKey is JDODHQCPTRMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c26-24(22-14-12-18-8-3-1-5-10-20(18)22)16-7-17-25(24,27)23-15-13-19-9-4-2-6-11-21(19)23/h1-6,8-15,26-27H,7,16-17H2.
What are the key properties of 1,2-di(azulen-1-yl)cyclopentane-1,2-diol?
1,2-di(azulen-1-yl)cyclopentane-1,2-diol has a molecular weight of 354.45 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(azulen-1-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 72712956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).