2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol

C13H22O — CID 130554280

IUPAC2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol
SMILESCCC1(C(O)C2CC3CCC2C3)CC1
InChIInChI=1S/C13H22O/c1-2-13(5-6-13)12(14)11-8-9-3-4-10(11)7-9/h9-12,14H,2-8H2,1H3
InChIKeyMXVCVLNXJXVGJS-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol

2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol (PubChem CID 130554280) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol
PubChem CID130554280
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol
SMILESCCC1(C(O)C2CC3CCC2C3)CC1
InChIInChI=1S/C13H22O/c1-2-13(5-6-13)12(14)11-8-9-3-4-10(11)7-9/h9-12,14H,2-8H2,1H3
InChIKeyMXVCVLNXJXVGJS-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol 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

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol
CID 130756519
1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
CID 130126580
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58636264
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(1-methylcyclopropyl)methanamine
CID 130494528
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol (CID 130554280) is 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol is CCC1(C(O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol?
The InChIKey is MXVCVLNXJXVGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-13(5-6-13)12(14)11-8-9-3-4-10(11)7-9/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol?
2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol is sourced from PubChem (CID 130554280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).