cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one

C13H16O2 — CID 163487392

IUPACcis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
SMILESC[C@H]1CCC(=O)[C@@H]1Cc1cccc(O)c1
InChIInChI=1S/C13H16O2/c1-9-5-6-13(15)12(9)8-10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3/t9-,12+/m0/s1
InChIKeyCJSBQXSNOVKUFA-JOYOIKCWSA-N
MW204.27 g/mol
LogP2.55
Rot. Bonds2

About cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one

cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one (PubChem CID 163487392) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
PubChem CID163487392
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namecis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
SMILESC[C@H]1CCC(=O)[C@@H]1Cc1cccc(O)c1
InChIInChI=1S/C13H16O2/c1-9-5-6-13(15)12(9)8-10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3/t9-,12+/m0/s1
InChIKeyCJSBQXSNOVKUFA-JOYOIKCWSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-methylpyrrolidin-2-yl)methyl]phenol
CID 142544066
(4R,5R)-9-hydroxy-4-[(3-hydroxyphenyl)methyl]-5-methyl-2-oxabicyclo[5.2.2]undeca-1(9),7,10-trien-3-one
CID 91419042
(3S,4S)-4-[2-(3-hydroxyphenyl)ethyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 166826069
(3S,4S)-4-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 101139436
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
N-(2,3-dimethylcyclopentyl)-2-(3-hydroxyphenyl)acetamide
CID 64921822
3-(piperidin-1-ium-4-ylmethyl)phenol chloride
CID 11470198
(3R,4R)-4-[(2,3-dihydroxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 131753174
3-[(3-hydroxyphenyl)methyl]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 17129620
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one?
The IUPAC name of cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one (CID 163487392) is cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one is C[C@H]1CCC(=O)[C@@H]1Cc1cccc(O)c1.
What is the InChIKey of cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one?
The InChIKey is CJSBQXSNOVKUFA-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-6-13(15)12(9)8-10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3/t9-,12+/m0/s1.
What are the key properties of cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one?
cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one is sourced from PubChem (CID 163487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).