(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one

C10H16O3 — CID 46703697

IUPAC(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CC[C@@H]1C(C)(C)O
InChIInChI=1S/C10H16O3/c1-10(2,12)8-5-4-7(11)6-9(8)13-3/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyMTQVHMRCBXZNDB-QMMMGPOBSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds2

About (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one

(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one (PubChem CID 46703697) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one
PubChem CID46703697
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CC[C@@H]1C(C)(C)O
InChIInChI=1S/C10H16O3/c1-10(2,12)8-5-4-7(11)6-9(8)13-3/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyMTQVHMRCBXZNDB-QMMMGPOBSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one
CID 46703549
4-tert-butyl-3-ethylcyclohex-2-en-1-one
CID 69153854
3-(2-methoxy-4-oxocyclohex-2-en-1-yl)butanoic acid
CID 123805338
4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 72828494
3-methoxy-4-methylcyclopent-2-en-1-one
CID 574103
ethane;3-methylcyclopent-2-en-1-one;propane-2,2-diol
CID 155705455
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 55286707
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
(3R)-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
CID 95224942
(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 175917702
(4R,5R)-4-hydroxy-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130912072
4-hydroxy-5-(2-methoxypropan-2-ylperoxy)cyclohept-2-en-1-one
CID 76515476

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one?
The IUPAC name of (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one (CID 46703697) is (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one is COC1=CC(=O)CC[C@@H]1C(C)(C)O.
What is the InChIKey of (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one?
The InChIKey is MTQVHMRCBXZNDB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2,12)8-5-4-7(11)6-9(8)13-3/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one?
(4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxypropan-2-yl)-3-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 46703697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).