(2R,7S)-2-chloroadamantan-1-ol

C10H15ClO — CID 130909196

IUPAC(2R,7S)-2-chloroadamantan-1-ol
SMILESOC12CC3CC(C[C@H](C3)C1)[C@H]2Cl
InChIInChI=1S/C10H15ClO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2/t6-,7?,8?,9+,10?/m0/s1
InChIKeyWECORAPXDUOSFU-DZYDGNKRSA-N
MW186.68 g/mol
LogP2.16
Rot. Bonds

About (2R,7S)-2-chloroadamantan-1-ol

(2R,7S)-2-chloroadamantan-1-ol (PubChem CID 130909196) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (2R,7S)-2-chloroadamantan-1-ol.

Molecular Properties

Compound Name(2R,7S)-2-chloroadamantan-1-ol
PubChem CID130909196
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(2R,7S)-2-chloroadamantan-1-ol
SMILESOC12CC3CC(C[C@H](C3)C1)[C@H]2Cl
InChIInChI=1S/C10H15ClO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2/t6-,7?,8?,9+,10?/m0/s1
InChIKeyWECORAPXDUOSFU-DZYDGNKRSA-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

(2R,7S)-2-chloroadamantane-1-carboxylic acid
CID 130898184
2-(1-hydroxy-2-adamantyl)-2-oxoacetic acid
CID 66609913
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
2-(1-hydroxy-2-adamantyl)prop-2-enoic acid
CID 67249997
2-butan-2-yladamantan-1-ol
CID 139951013
adamantan-1-ol;azane
CID 66728775
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
2-methyladamantane-1,4-diol
CID 150043877
5-(1-adamantyl)adamantan-2-ol
CID 68898703
5-chloroadamantan-2-ol
CID 12660028
1-methyladamantan-2-ol
CID 12697517

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-2-chloroadamantan-1-ol?
The IUPAC name of (2R,7S)-2-chloroadamantan-1-ol (CID 130909196) is (2R,7S)-2-chloroadamantan-1-ol.
What is the SMILES notation for (2R,7S)-2-chloroadamantan-1-ol?
The canonical SMILES for (2R,7S)-2-chloroadamantan-1-ol is OC12CC3CC(C[C@H](C3)C1)[C@H]2Cl.
What is the InChIKey of (2R,7S)-2-chloroadamantan-1-ol?
The InChIKey is WECORAPXDUOSFU-DZYDGNKRSA-N. The full InChI is InChI=1S/C10H15ClO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2/t6-,7?,8?,9+,10?/m0/s1.
What are the key properties of (2R,7S)-2-chloroadamantan-1-ol?
(2R,7S)-2-chloroadamantan-1-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 (2R,7S)-2-chloroadamantan-1-ol is sourced from PubChem (CID 130909196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).