trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol

C14H20O — CID 124681224

IUPACtrans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
SMILESC[C@@H]1CC(C)(C)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyYYUWBPZKBNMFIA-RISCZKNCSA-N
MW204.31 g/mol
LogP3.33
Rot. Bonds1

About trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol

trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol (PubChem CID 124681224) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
PubChem CID124681224
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nametrans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
SMILESC[C@@H]1CC(C)(C)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyYYUWBPZKBNMFIA-RISCZKNCSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 106663884
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 100815418
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926
1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81313765

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol (CID 124681224) is trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol is C[C@@H]1CC(C)(C)C[C@@]1(O)c1ccccc1.
What is the InChIKey of trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol?
The InChIKey is YYUWBPZKBNMFIA-RISCZKNCSA-N. The full InChI is InChI=1S/C14H20O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol?
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol is sourced from PubChem (CID 124681224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).