(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol

C7H11ClO — CID 12670787

IUPAC(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol
SMILESO[C@H]1[C@@H]2CC[C@H]1[C@H](Cl)C2
InChIInChI=1S/C7H11ClO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyZRHWJEPTMFEBOP-UCROKIRRSA-N
MW146.62 g/mol
LogP1.38
Rot. Bonds

About (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol

(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol (PubChem CID 12670787) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol
PubChem CID12670787
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol
SMILESO[C@H]1[C@@H]2CC[C@H]1[C@H](Cl)C2
InChIInChI=1S/C7H11ClO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyZRHWJEPTMFEBOP-UCROKIRRSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
4-chlorotricyclo[5.2.1.02,6]decan-3-ol
CID 59863169
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
CID 15148369
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
CID 10703299
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
4-bromo-2,6-dichlorocyclohexan-1-ol
CID 44558065
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
4-(4-amino-3-chlorocyclohexyl)-2-chlorocyclohexan-1-amine
CID 44557967

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol (CID 12670787) is (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol is O[C@H]1[C@@H]2CC[C@H]1[C@H](Cl)C2.
What is the InChIKey of (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol?
The InChIKey is ZRHWJEPTMFEBOP-UCROKIRRSA-N. The full InChI is InChI=1S/C7H11ClO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3H2/t4-,5+,6-,7+/m1/s1.
What are the key properties of (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol?
(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol has a molecular weight of 146.62 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 12670787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).