trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol

C17H17ClO2 — CID 102735372

IUPACtrans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClO2/c18-14-11-13(12-5-2-1-3-6-12)9-10-16(14)20-17-8-4-7-15(17)19/h1-3,5-6,9-11,15,17,19H,4,7-8H2/t15-,17-/m0/s1
InChIKeyNVPJJCAQOWGCLI-RDJZCZTQSA-N
MW288.77 g/mol
LogP4.30
Rot. Bonds3

About trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol

trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol (PubChem CID 102735372) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
PubChem CID102735372
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Nametrans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClO2/c18-14-11-13(12-5-2-1-3-6-12)9-10-16(14)20-17-8-4-7-15(17)19/h1-3,5-6,9-11,15,17,19H,4,7-8H2/t15-,17-/m0/s1
InChIKeyNVPJJCAQOWGCLI-RDJZCZTQSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
[2-(2-chloro-4-phenylphenoxy)cyclohexyl] hydrogen sulfite
CID 70626143
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol (CID 102735372) is trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol?
The InChIKey is NVPJJCAQOWGCLI-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-14-11-13(12-5-2-1-3-6-12)9-10-16(14)20-17-8-4-7-15(17)19/h1-3,5-6,9-11,15,17,19H,4,7-8H2/t15-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol has a molecular weight of 288.77 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).