5-chloroadamantan-2-ol

C10H15ClO — CID 12660028

IUPAC5-chloroadamantan-2-ol
SMILESOC1C2CC3CC1CC(Cl)(C3)C2
InChIInChI=1S/C10H15ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2
InChIKeyZPDSKYXXCIKMJN-UHFFFAOYSA-N
MW186.68 g/mol
LogP2.16
Rot. Bonds

About 5-chloroadamantan-2-ol

5-chloroadamantan-2-ol (PubChem CID 12660028) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 5-chloroadamantan-2-ol.

Molecular Properties

Compound Name5-chloroadamantan-2-ol
PubChem CID12660028
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name5-chloroadamantan-2-ol
SMILESOC1C2CC3CC1CC(Cl)(C3)C2
InChIInChI=1S/C10H15ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2
InChIKeyZPDSKYXXCIKMJN-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.16
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

1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
CID 58192702
5-(1-adamantyl)adamantan-2-ol
CID 68898703
5-bromoadamantan-2-ol
CID 12660030
acetic acid;1-chloroadamantane
CID 175013443
5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
CID 122499288
1-(4-hydroxy-1-adamantyl)ethanone
CID 14147100
5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol
CID 131846461
5-(1-methoxyethenyl)adamantan-2-ol
CID 118457316
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
5-chloroadamantane-2-carbonitrile;5-chloroadamantane-2-carboximidamide
CID 159004561
(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
CID 172972696
5-(2-aminopropyl)adamantan-2-ol
CID 516159

Frequently Asked Questions

What is the IUPAC name of 5-chloroadamantan-2-ol?
The IUPAC name of 5-chloroadamantan-2-ol (CID 12660028) is 5-chloroadamantan-2-ol.
What is the SMILES notation for 5-chloroadamantan-2-ol?
The canonical SMILES for 5-chloroadamantan-2-ol is OC1C2CC3CC1CC(Cl)(C3)C2.
What is the InChIKey of 5-chloroadamantan-2-ol?
The InChIKey is ZPDSKYXXCIKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5H2.
What are the key properties of 5-chloroadamantan-2-ol?
5-chloroadamantan-2-ol has a molecular weight of 186.68 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroadamantan-2-ol is sourced from PubChem (CID 12660028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).