trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol

C13H18O2 — CID 14172790

IUPACtrans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
SMILESO[C@@H]1CCC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C13H18O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13-/m1/s1
InChIKeyRFCYVWGCOXVSBD-CHWSQXEVSA-N
MW206.29 g/mol
LogP2.51
Rot. Bonds3

About trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol

trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol (PubChem CID 14172790) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
PubChem CID14172790
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nametrans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
SMILESO[C@@H]1CCC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C13H18O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13-/m1/s1
InChIKeyRFCYVWGCOXVSBD-CHWSQXEVSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
CID 141095179
azane;cyclopentyloxymethylbenzene
CID 69411306
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
3-phenoxycyclohexan-1-ol
CID 79617811
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
3-phenylmethoxycyclopentan-1-amine
CID 79421215
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
CID 155130998

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol (CID 14172790) is trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol is O[C@@H]1CCC[C@@H](OCc2ccccc2)C1.
What is the InChIKey of trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol?
The InChIKey is RFCYVWGCOXVSBD-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol?
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 14172790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).