(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol

C8H14O — CID 131155983

IUPAC(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1O
InChIInChI=1S/C8H14O/c1-5-6-2-3-7(4-6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1
InChIKeyXURQJXSWNOUOGJ-DKXJUACHSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds

About (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol

(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 131155983) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID131155983
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1O
InChIInChI=1S/C8H14O/c1-5-6-2-3-7(4-6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1
InChIKeyXURQJXSWNOUOGJ-DKXJUACHSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol 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

(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 171582038
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138397495
[(1S,2S,3S,4S)-3-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 6579410

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol (CID 131155983) is (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol is C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1O.
What is the InChIKey of (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is XURQJXSWNOUOGJ-DKXJUACHSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6-2-3-7(4-6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 131155983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).