2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol

C14H24O2 — CID 115821257

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)CC2CC3CCC2C3)CO1
InChIInChI=1S/C14H24O2/c1-9-4-13(8-16-9)14(15)7-12-6-10-2-3-11(12)5-10/h9-15H,2-8H2,1H3
InChIKeyIRLCBHMUQSAUFH-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol (PubChem CID 115821257) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol
PubChem CID115821257
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)CC2CC3CCC2C3)CO1
InChIInChI=1S/C14H24O2/c1-9-4-13(8-16-9)14(15)7-12-6-10-2-3-11(12)5-10/h9-15H,2-8H2,1H3
InChIKeyIRLCBHMUQSAUFH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxolan-2-yl)ethanol
CID 79558980
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 113289694
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
1-(5-methyloxolan-3-yl)nonan-1-ol
CID 115783996
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
CID 79558765

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol (CID 115821257) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol is CC1CC(C(O)CC2CC3CCC2C3)CO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol?
The InChIKey is IRLCBHMUQSAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-4-13(8-16-9)14(15)7-12-6-10-2-3-11(12)5-10/h9-15H,2-8H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol has a molecular weight of 224.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 115821257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).