trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol

C18H26O4 — CID 139056269

IUPACtrans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccccc1O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H26O4/c19-13-7-1-3-9-15(13)21-17-11-5-6-12-18(17)22-16-10-4-2-8-14(16)20/h5-6,11-16,19-20H,1-4,7-10H2/t13-,14+,15-,16+
InChIKeyNJVWVOVRXDRAME-GEEKYZPCSA-N
MW306.40 g/mol
LogP3.05
Rot. Bonds4

About trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol

trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol (PubChem CID 139056269) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
PubChem CID139056269
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nametrans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccccc1O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H26O4/c19-13-7-1-3-9-15(13)21-17-11-5-6-12-18(17)22-16-10-4-2-8-14(16)20/h5-6,11-16,19-20H,1-4,7-10H2/t13-,14+,15-,16+
InChIKeyNJVWVOVRXDRAME-GEEKYZPCSA-N
XLogP3.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]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

2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
CID 93462017

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol (CID 139056269) is trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Oc1ccccc1O[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol?
The InChIKey is NJVWVOVRXDRAME-GEEKYZPCSA-N. The full InChI is InChI=1S/C18H26O4/c19-13-7-1-3-9-15(13)21-17-11-5-6-12-18(17)22-16-10-4-2-8-14(16)20/h5-6,11-16,19-20H,1-4,7-10H2/t13-,14+,15-,16+.
What are the key properties of trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol has a molecular weight of 306.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol is sourced from PubChem (CID 139056269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).