(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol

C14H20O3 — CID 14666183

IUPAC(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
SMILESCO[C@@H]1CC[C@@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20O3/c1-16-14-8-7-12(9-13(14)15)17-10-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKeyANTCDWLBQGJIBH-MGPQQGTHSA-N
MW236.31 g/mol
LogP2.13
Rot. Bonds4

About (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol

(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol (PubChem CID 14666183) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
PubChem CID14666183
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
SMILESCO[C@@H]1CC[C@@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20O3/c1-16-14-8-7-12(9-13(14)15)17-10-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKeyANTCDWLBQGJIBH-MGPQQGTHSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
[(1R,2S,4R)-2-methoxy-4-phenylmethoxycyclohexyl] methanesulfonate
CID 21075097
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
3-phenylmethoxycyclopentan-1-amine
CID 79421215
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
4-hydroxy-3-phenylmethoxycyclohexane-1-carboxylic acid;4-methoxy-3-phenylmethoxycyclohexane-1-carboxylic acid
CID 91423827
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol (CID 14666183) is (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol is CO[C@@H]1CC[C@@H](OCc2ccccc2)C[C@H]1O.
What is the InChIKey of (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol?
The InChIKey is ANTCDWLBQGJIBH-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-14-8-7-12(9-13(14)15)17-10-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol?
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 14666183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).