cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde

C15H20O2 — CID 10376652

IUPACcis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde
SMILESCc1cc([C@@H]2CCCC[C@H]2C=O)cc(C)c1O
InChIInChI=1S/C15H20O2/c1-10-7-13(8-11(2)15(10)17)14-6-4-3-5-12(14)9-16/h7-9,12,14,17H,3-6H2,1-2H3/t12-,14+/m0/s1
InChIKeyYCEAYQAVSDLNCL-GXTWGEPZSA-N
MW232.32 g/mol
LogP3.48
Rot. Bonds2

About cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde

cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde (PubChem CID 10376652) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde
PubChem CID10376652
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namecis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde
SMILESCc1cc([C@@H]2CCCC[C@H]2C=O)cc(C)c1O
InChIInChI=1S/C15H20O2/c1-10-7-13(8-11(2)15(10)17)14-6-4-3-5-12(14)9-16/h7-9,12,14,17H,3-6H2,1-2H3/t12-,14+/m0/s1
InChIKeyYCEAYQAVSDLNCL-GXTWGEPZSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde (CID 10376652) is cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde is Cc1cc([C@@H]2CCCC[C@H]2C=O)cc(C)c1O.
What is the InChIKey of cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde?
The InChIKey is YCEAYQAVSDLNCL-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-7-13(8-11(2)15(10)17)14-6-4-3-5-12(14)9-16/h7-9,12,14,17H,3-6H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde?
cis-(1R,2R)-2-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.48, 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-(4-hydroxy-3,5-dimethylphenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10376652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).