2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one

C14H18O3 — CID 132822025

IUPAC2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccccc1[C@H](O)C1CCCCC1=O
InChIInChI=1S/C14H18O3/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h3,5,7,9-10,14,16H,2,4,6,8H2,1H3/t10?,14-/m1/s1
InChIKeyPSQNPRCJQYSBQM-LNUXAPHWSA-N
MW234.30 g/mol
LogP2.49
Rot. Bonds3

About 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one

2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one (PubChem CID 132822025) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
PubChem CID132822025
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccccc1[C@H](O)C1CCCCC1=O
InChIInChI=1S/C14H18O3/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h3,5,7,9-10,14,16H,2,4,6,8H2,1H3/t10?,14-/m1/s1
InChIKeyPSQNPRCJQYSBQM-LNUXAPHWSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(R)-(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexan-1-one
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CID 54752641
(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
CID 101202152
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
2-[hydroxy-[1-(2-methoxyphenyl)sulfanylcyclopropyl]methyl]cyclohexan-1-one
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(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105078447
[(3aS,7aS)-1,3-dimethyl-2-oxido-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-ium-2-yl]-(2-methoxyphenyl)methanol
CID 100941312
methyl 4-[(R)-hydroxy-[(1S)-2-oxocyclohexyl]methyl]benzoate
CID 16726034
methyl 4-[(S)-hydroxy-[(1R)-2-oxocyclohexyl]methyl]benzoate
CID 102029439
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one
CID 11735694

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one (CID 132822025) is 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one is COc1ccccc1[C@H](O)C1CCCCC1=O.
What is the InChIKey of 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one?
The InChIKey is PSQNPRCJQYSBQM-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h3,5,7,9-10,14,16H,2,4,6,8H2,1H3/t10?,14-/m1/s1.
What are the key properties of 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one?
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one has a molecular weight of 234.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 132822025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).