(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one

C15H22O2 — CID 139795849

IUPAC(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one
SMILESCCC[C@@](C)(C(=O)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-5-11-15(3,14(16)6-2)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyGIPRKOIFRDHQCZ-OAHLLOKOSA-N
MW234.34 g/mol
LogP3.73
Rot. Bonds6

About (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one

(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one (PubChem CID 139795849) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one
PubChem CID139795849
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one
SMILESCCC[C@@](C)(C(=O)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-5-11-15(3,14(16)6-2)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyGIPRKOIFRDHQCZ-OAHLLOKOSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
CID 144556494
(3R)-3-(4-methoxyphenyl)-3-methylhexanal
CID 102367487
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1,4-dimethoxybenzene;octan-3-one
CID 174621330
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one (CID 139795849) is (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one is CCC[C@@](C)(C(=O)CC)c1ccc(OC)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one?
The InChIKey is GIPRKOIFRDHQCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-11-15(3,14(16)6-2)12-7-9-13(17-4)10-8-12/h7-10H,5-6,11H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one?
(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one is sourced from PubChem (CID 139795849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).