2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C18H27NO — CID 79067021

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)CC2Cc3ccccc32)CCCCC1
InChIInChI=1S/C18H27NO/c1-19(2)18(10-6-3-7-11-18)17(20)13-15-12-14-8-4-5-9-16(14)15/h4-5,8-9,15,17,20H,3,6-7,10-13H2,1-2H3
InChIKeyCHGPHTDVRCLFSR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.34
Rot. Bonds4

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79067021) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79067021
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)CC2Cc3ccccc32)CCCCC1
InChIInChI=1S/C18H27NO/c1-19(2)18(10-6-3-7-11-18)17(20)13-15-12-14-8-4-5-9-16(14)15/h4-5,8-9,15,17,20H,3,6-7,10-13H2,1-2H3
InChIKeyCHGPHTDVRCLFSR-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684236
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105003535
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cycloheptane-1-carboxylic acid
CID 79429413
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79054173
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750459
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79058945
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
CID 106677838
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713215

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79067021) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is CN(C)C1(C(O)CC2Cc3ccccc32)CCCCC1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is CHGPHTDVRCLFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19(2)18(10-6-3-7-11-18)17(20)13-15-12-14-8-4-5-9-16(14)15/h4-5,8-9,15,17,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 273.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79067021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).