trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol

C12H15IO2 — CID 102732469

IUPACtrans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1cccc(I)c1
InChIInChI=1S/C12H15IO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2/t11-,12-/m0/s1
InChIKeyJVYROHLHNHIHGZ-RYUDHWBXSA-N
MW318.15 g/mol
LogP2.97
Rot. Bonds2

About trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol

trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol (PubChem CID 102732469) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
PubChem CID102732469
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Nametrans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1cccc(I)c1
InChIInChI=1S/C12H15IO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2/t11-,12-/m0/s1
InChIKeyJVYROHLHNHIHGZ-RYUDHWBXSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol (CID 102732469) is trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Oc1cccc(I)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol?
The InChIKey is JVYROHLHNHIHGZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15IO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol has a molecular weight of 318.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).