trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol

C19H22O2 — CID 18653088

IUPACtrans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22O2/c20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21-14-15-8-2-1-3-9-15/h1-3,5,7-9,11,13,16,18,20H,4,6,10,12,14H2/t16-,18+/m0/s1
InChIKeyCFKJXIHGCYQTSY-FUHWJXTLSA-N
MW282.38 g/mol
LogP4.28
Rot. Bonds4

About trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol

trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol (PubChem CID 18653088) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
PubChem CID18653088
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nametrans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22O2/c20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21-14-15-8-2-1-3-9-15/h1-3,5,7-9,11,13,16,18,20H,4,6,10,12,14H2/t16-,18+/m0/s1
InChIKeyCFKJXIHGCYQTSY-FUHWJXTLSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexyl]boronic acid
CID 69244554
1-(1-cyclopropylethenyl)-2-phenylmethoxybenzene
CID 175668306
2-(2-phenylmethoxyphenyl)adamantane
CID 19890650
(2S,3R,4S)-N-benzhydryl-3-hydroxy-4-(2-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 166860954
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol (CID 18653088) is trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1c1ccccc1OCc1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The InChIKey is CFKJXIHGCYQTSY-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H22O2/c20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21-14-15-8-2-1-3-9-15/h1-3,5,7-9,11,13,16,18,20H,4,6,10,12,14H2/t16-,18+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 18653088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).