dicyclohexyl(pyridin-3-yl)methanol

C18H27NO — CID 70631118

IUPACdicyclohexyl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27NO/c20-18(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-19-14-17/h7,12-16,20H,1-6,8-11H2
InChIKeyWYCSBFSIEDSRRZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.43
Rot. Bonds3

About dicyclohexyl(pyridin-3-yl)methanol

dicyclohexyl(pyridin-3-yl)methanol (PubChem CID 70631118) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is dicyclohexyl(pyridin-3-yl)methanol.

Molecular Properties

Compound Namedicyclohexyl(pyridin-3-yl)methanol
PubChem CID70631118
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Namedicyclohexyl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27NO/c20-18(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-19-14-17/h7,12-16,20H,1-6,8-11H2
InChIKeyWYCSBFSIEDSRRZ-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(pyridin-3-yl)methanol?
The IUPAC name of dicyclohexyl(pyridin-3-yl)methanol (CID 70631118) is dicyclohexyl(pyridin-3-yl)methanol.
What is the SMILES notation for dicyclohexyl(pyridin-3-yl)methanol?
The canonical SMILES for dicyclohexyl(pyridin-3-yl)methanol is OC(c1cccnc1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(pyridin-3-yl)methanol?
The InChIKey is WYCSBFSIEDSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-19-14-17/h7,12-16,20H,1-6,8-11H2.
What are the key properties of dicyclohexyl(pyridin-3-yl)methanol?
dicyclohexyl(pyridin-3-yl)methanol has a molecular weight of 273.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(pyridin-3-yl)methanol is sourced from PubChem (CID 70631118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).