trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol

C19H30O2 — CID 67808829

IUPACtrans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(O[C@H]2CCC[C@@H]2O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O2/c1-18(2,3)13-10-11-16(14(12-13)19(4,5)6)21-17-9-7-8-15(17)20/h10-12,15,17,20H,7-9H2,1-6H3/t15-,17-/m0/s1
InChIKeyUMHOIZHEOJTXQP-RDJZCZTQSA-N
MW290.45 g/mol
LogP4.57
Rot. Bonds2

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

trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol (PubChem CID 67808829) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol
PubChem CID67808829
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Nametrans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol
SMILESCC(C)(C)c1ccc(O[C@H]2CCC[C@@H]2O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O2/c1-18(2,3)13-10-11-16(14(12-13)19(4,5)6)21-17-9-7-8-15(17)20/h10-12,15,17,20H,7-9H2,1-6H3/t15-,17-/m0/s1
InChIKeyUMHOIZHEOJTXQP-RDJZCZTQSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
acetic acid;trans-(1R,2R)-2-(2,4-ditert-butylphenyl)sulfanylcyclopentan-1-ol
CID 67809505
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
CID 61379750

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol (CID 67808829) is trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol is CC(C)(C)c1ccc(O[C@H]2CCC[C@@H]2O)c(C(C)(C)C)c1.
What is the InChIKey of trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol?
The InChIKey is UMHOIZHEOJTXQP-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H30O2/c1-18(2,3)13-10-11-16(14(12-13)19(4,5)6)21-17-9-7-8-15(17)20/h10-12,15,17,20H,7-9H2,1-6H3/t15-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.57, 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-(2,4-ditert-butylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 67808829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).