trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol

C17H18O2 — CID 102735461

IUPACtrans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m1/s1
InChIKeyWJRSCMPJCBQGPD-IAGOWNOFSA-N
MW254.33 g/mol
LogP3.65
Rot. Bonds3

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

trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol (PubChem CID 102735461) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
PubChem CID102735461
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Nametrans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m1/s1
InChIKeyWJRSCMPJCBQGPD-IAGOWNOFSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
2-phenoxycyclooctan-1-ol
CID 22247671
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
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
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol
CID 173215312

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol (CID 102735461) is trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol?
The InChIKey is WJRSCMPJCBQGPD-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18H,4,7-8H2/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.65, 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-(4-phenylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).