(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one

C13H16O3 — CID 102232708

IUPAC(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc([C@@]2(O)CCCC(=O)C2)cc1
InChIInChI=1S/C13H16O3/c1-16-12-6-4-10(5-7-12)13(15)8-2-3-11(14)9-13/h4-7,15H,2-3,8-9H2,1H3/t13-/m1/s1
InChIKeyGZIZXTPQJYADHP-CYBMUJFWSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds2

About (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one

(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one (PubChem CID 102232708) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
PubChem CID102232708
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc([C@@]2(O)CCCC(=O)C2)cc1
InChIInChI=1S/C13H16O3/c1-16-12-6-4-10(5-7-12)13(15)8-2-3-11(14)9-13/h4-7,15H,2-3,8-9H2,1H3/t13-/m1/s1
InChIKeyGZIZXTPQJYADHP-CYBMUJFWSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
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3-(4-methoxyphenyl)thian-3-ol
CID 83691900
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
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2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one (CID 102232708) is (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one is COc1ccc([C@@]2(O)CCCC(=O)C2)cc1.
What is the InChIKey of (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is GZIZXTPQJYADHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-12-6-4-10(5-7-12)13(15)8-2-3-11(14)9-13/h4-7,15H,2-3,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one?
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 102232708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).