cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde

C15H20O2 — CID 101223313

IUPACcis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde
SMILESCc1ccc(O)c([C@@]2(C)CCC[C@@]2(C)C=O)c1
InChIInChI=1S/C15H20O2/c1-11-5-6-13(17)12(9-11)15(3)8-4-7-14(15,2)10-16/h5-6,9-10,17H,4,7-8H2,1-3H3/t14-,15+/m0/s1
InChIKeyHPALCXSDHIFKMQ-LSDHHAIUSA-N
MW232.32 g/mol
LogP3.35
Rot. Bonds2

About cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde

cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde (PubChem CID 101223313) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde
PubChem CID101223313
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namecis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde
SMILESCc1ccc(O)c([C@@]2(C)CCC[C@@]2(C)C=O)c1
InChIInChI=1S/C15H20O2/c1-11-5-6-13(17)12(9-11)15(3)8-4-7-14(15,2)10-16/h5-6,9-10,17H,4,7-8H2,1-3H3/t14-,15+/m0/s1
InChIKeyHPALCXSDHIFKMQ-LSDHHAIUSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
CID 15519737
2-methyl-5-(1,2,2-trimethylcyclopentyl)benzene-1,4-diol
CID 11356756
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
CID 155662947
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
2-[(1S,3S)-3-bromo-1,2,2-trimethylcyclopentyl]-5-methylphenol
CID 163191622
4-methyl-2-(2,4,4,6-tetramethyl-3H-chromen-2-yl)phenol
CID 10891786
(3aR,9bS)-3a,7,9b-trimethyl-1,2,3,4-tetrahydrocyclopenta[c]thiochromene
CID 102370773
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde (CID 101223313) is cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde is Cc1ccc(O)c([C@@]2(C)CCC[C@@]2(C)C=O)c1.
What is the InChIKey of cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde?
The InChIKey is HPALCXSDHIFKMQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-6-13(17)12(9-11)15(3)8-4-7-14(15,2)10-16/h5-6,9-10,17H,4,7-8H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde?
cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2-hydroxy-5-methylphenyl)-1,2-dimethylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 101223313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).