trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol

C17H18O3 — CID 102735416

IUPACtrans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c18-16-7-4-8-17(16)20-15-11-9-14(10-12-15)19-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m0/s1
InChIKeyAIFMFSLYNKYJNZ-IRXDYDNUSA-N
MW270.33 g/mol
LogP3.77
Rot. Bonds4

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

trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol (PubChem CID 102735416) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
PubChem CID102735416
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nametrans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c18-16-7-4-8-17(16)20-15-11-9-14(10-12-15)19-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m0/s1
InChIKeyAIFMFSLYNKYJNZ-IRXDYDNUSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
2-phenoxycyclopentane-1-thiol
CID 130451527
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol (CID 102735416) is trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol?
The InChIKey is AIFMFSLYNKYJNZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18O3/c18-16-7-4-8-17(16)20-15-11-9-14(10-12-15)19-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol has a molecular weight of 270.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).