(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol

C7H13ClO2 — CID 130847345

IUPAC(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCC[C@H](Cl)[C@H]1O
InChIInChI=1S/C7H13ClO2/c1-10-6-4-2-3-5(8)7(6)9/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyPLRHLHBHIFAZAL-LYFYHCNISA-N
MW164.63 g/mol
LogP1.15
Rot. Bonds1

About (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol

(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol (PubChem CID 130847345) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol
PubChem CID130847345
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol
SMILESCO[C@H]1CCC[C@H](Cl)[C@H]1O
InChIInChI=1S/C7H13ClO2/c1-10-6-4-2-3-5(8)7(6)9/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyPLRHLHBHIFAZAL-LYFYHCNISA-N
XLogP1.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6S)-2-bromo-6-methoxycyclohexan-1-ol
CID 130865880
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
2-methoxy-6-propan-2-ylcyclohexan-1-ol
CID 140573404
ethane;2-methoxycyclopentan-1-ol
CID 177178786
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
4-methoxycyclohexane-1,2,3-triol
CID 54277163
(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 54291635
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
tris(2,6-dimethoxycyclohexyl)phosphane
CID 44558720
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
ethane;1-methoxy-2-methylcyclopentane
CID 142110191

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol?
The IUPAC name of (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol (CID 130847345) is (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol?
The canonical SMILES for (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol is CO[C@H]1CCC[C@H](Cl)[C@H]1O.
What is the InChIKey of (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol?
The InChIKey is PLRHLHBHIFAZAL-LYFYHCNISA-N. The full InChI is InChI=1S/C7H13ClO2/c1-10-6-4-2-3-5(8)7(6)9/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol?
(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol has a molecular weight of 164.63 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol is sourced from PubChem (CID 130847345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).