2-(7-bicyclo[2.2.1]heptanyl)ethanol

C9H16O — CID 84648540

IUPAC2-(7-bicyclo[2.2.1]heptanyl)ethanol
SMILESOCCC1C2CCC1CC2
InChIInChI=1S/C9H16O/c10-6-5-9-7-1-2-8(9)4-3-7/h7-10H,1-6H2
InChIKeyQIWLHZYZXJTAMQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds2

About 2-(7-bicyclo[2.2.1]heptanyl)ethanol

2-(7-bicyclo[2.2.1]heptanyl)ethanol (PubChem CID 84648540) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(7-bicyclo[2.2.1]heptanyl)ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[2.2.1]heptanyl)ethanol
PubChem CID84648540
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-(7-bicyclo[2.2.1]heptanyl)ethanol
SMILESOCCC1C2CCC1CC2
InChIInChI=1S/C9H16O/c10-6-5-9-7-1-2-8(9)4-3-7/h7-10H,1-6H2
InChIKeyQIWLHZYZXJTAMQ-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57279526
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CID 98454456
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol
CID 130123627
2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol
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CID 10535305
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
2-[5-(2-hydroxyethyl)pyrrolidin-2-yl]ethanol
CID 123879549
bicyclo[2.2.0]hexane;ethanol
CID 66985462

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[2.2.1]heptanyl)ethanol?
The IUPAC name of 2-(7-bicyclo[2.2.1]heptanyl)ethanol (CID 84648540) is 2-(7-bicyclo[2.2.1]heptanyl)ethanol.
What is the SMILES notation for 2-(7-bicyclo[2.2.1]heptanyl)ethanol?
The canonical SMILES for 2-(7-bicyclo[2.2.1]heptanyl)ethanol is OCCC1C2CCC1CC2.
What is the InChIKey of 2-(7-bicyclo[2.2.1]heptanyl)ethanol?
The InChIKey is QIWLHZYZXJTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-6-5-9-7-1-2-8(9)4-3-7/h7-10H,1-6H2.
What are the key properties of 2-(7-bicyclo[2.2.1]heptanyl)ethanol?
2-(7-bicyclo[2.2.1]heptanyl)ethanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[2.2.1]heptanyl)ethanol is sourced from PubChem (CID 84648540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).