trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol

C14H20O2 — CID 102732466

IUPACtrans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
SMILESCCc1cccc(O[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O2/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-7,10,13-15H,2-4,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyXKMAHOVEFMPBCR-ZIAGYGMSSA-N
MW220.31 g/mol
LogP2.93
Rot. Bonds3

About trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol

trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol (PubChem CID 102732466) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
PubChem CID102732466
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametrans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
SMILESCCc1cccc(O[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O2/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-7,10,13-15H,2-4,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyXKMAHOVEFMPBCR-ZIAGYGMSSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylphenoxy)cyclooctane
CID 91220327
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
CID 102732469
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol
CID 60877831
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
2-(3-ethylphenoxy)piperidine
CID 91241218
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
2-[3-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 60881566

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol (CID 102732466) is trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol is CCc1cccc(O[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol?
The InChIKey is XKMAHOVEFMPBCR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-7,10,13-15H,2-4,8-9H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol?
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).