(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol

C13H17ClO2 — CID 15936956

IUPAC(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
SMILESO[C@@H]1[C@@H](Cl)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H17ClO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15H,4,7-9H2/t11-,12+,13+/m0/s1
InChIKeyRTPHFZQXDSWLEW-YNEHKIRRSA-N
MW240.73 g/mol
LogP2.72
Rot. Bonds3

About (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol

(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol (PubChem CID 15936956) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
PubChem CID15936956
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
SMILESO[C@@H]1[C@@H](Cl)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H17ClO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15H,4,7-9H2/t11-,12+,13+/m0/s1
InChIKeyRTPHFZQXDSWLEW-YNEHKIRRSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.72
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

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
CID 156714501
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol?
The IUPAC name of (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol (CID 15936956) is (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol is O[C@@H]1[C@@H](Cl)CCC[C@H]1OCc1ccccc1.
What is the InChIKey of (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol?
The InChIKey is RTPHFZQXDSWLEW-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H17ClO2/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,15H,4,7-9H2/t11-,12+,13+/m0/s1.
What are the key properties of (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol?
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 15936956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).