1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol

C17H24O — CID 114191995

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
SMILESOC(CCC1CCCCC1)C1Cc2ccccc21
InChIInChI=1S/C17H24O/c18-17(11-10-13-6-2-1-3-7-13)16-12-14-8-4-5-9-15(14)16/h4-5,8-9,13,16-18H,1-3,6-7,10-12H2
InChIKeyTYHVVJCBFTXGIL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.05
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol (PubChem CID 114191995) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
PubChem CID114191995
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
SMILESOC(CCC1CCCCC1)C1Cc2ccccc21
InChIInChI=1S/C17H24O/c18-17(11-10-13-6-2-1-3-7-13)16-12-14-8-4-5-9-15(14)16/h4-5,8-9,13,16-18H,1-3,6-7,10-12H2
InChIKeyTYHVVJCBFTXGIL-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol (CID 114191995) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol is OC(CCC1CCCCC1)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol?
The InChIKey is TYHVVJCBFTXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c18-17(11-10-13-6-2-1-3-7-13)16-12-14-8-4-5-9-15(14)16/h4-5,8-9,13,16-18H,1-3,6-7,10-12H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 114191995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).