(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol

C10H18O2 — CID 11745067

IUPAC(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
SMILESOCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O
InChIInChI=1S/C10H18O2/c11-5-1-2-9-7-3-4-8(6-7)10(9)12/h7-12H,1-6H2/t7-,8+,9+,10-/m0/s1
InChIKeyIFVHVUKFMJHHKQ-JLIMGVALSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds3

About (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol

(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 11745067) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID11745067
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
SMILESOCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O
InChIInChI=1S/C10H18O2/c11-5-1-2-9-7-3-4-8(6-7)10(9)12/h7-12H,1-6H2/t7-,8+,9+,10-/m0/s1
InChIKeyIFVHVUKFMJHHKQ-JLIMGVALSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
CID 123558126
(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 125469630
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
2-(7-bicyclo[2.2.1]heptanyl)ethanol
CID 84648540
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
2-(3-hydroxypropyl)oxolan-3-ol
CID 145103835
6-[(1R,2R)-2-cyclopropylcyclopropyl]hexan-1-ol
CID 10631306
3-[3-(2-hydroxyethyl)cyclohexyl]propan-1-ol
CID 126613373
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
CID 556377

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol (CID 11745067) is (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol is OCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is IFVHVUKFMJHHKQ-JLIMGVALSA-N. The full InChI is InChI=1S/C10H18O2/c11-5-1-2-9-7-3-4-8(6-7)10(9)12/h7-12H,1-6H2/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11745067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).