(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one

C14H17NO2 — CID 156552331

IUPAC(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccc(O)c2)CCCCC1=O
InChIInChI=1S/C14H17NO2/c1-15-10-14(8-3-2-7-13(14)17)11-5-4-6-12(16)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3/b15-10+/t14-/m0/s1
InChIKeyCTZGFFINZCLXBJ-GWQWUEFDSA-N
MW231.30 g/mol
LogP2.47
Rot. Bonds2

About (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one

(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one (PubChem CID 156552331) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one
PubChem CID156552331
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccc(O)c2)CCCCC1=O
InChIInChI=1S/C14H17NO2/c1-15-10-14(8-3-2-7-13(14)17)11-5-4-6-12(16)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3/b15-10+/t14-/m0/s1
InChIKeyCTZGFFINZCLXBJ-GWQWUEFDSA-N
XLogP2.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156552518
(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one
CID 156552529
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
3-[1-(propan-2-ylamino)cyclohexyl]phenol
CID 70506241
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(1-aminocyclopropyl)phenol
CID 55296554
3-[(3R)-1,3-dimethylazepan-3-yl]phenol
CID 143979161
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one (CID 156552331) is (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one is C/N=C/[C@]1(c2cccc(O)c2)CCCCC1=O.
What is the InChIKey of (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one?
The InChIKey is CTZGFFINZCLXBJ-GWQWUEFDSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-10-14(8-3-2-7-13(14)17)11-5-4-6-12(16)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3/b15-10+/t14-/m0/s1.
What are the key properties of (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one?
(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one is sourced from PubChem (CID 156552331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).