(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione

C14H18O4 — CID 101235095

IUPAC(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
SMILESCOc1ccccc1C(=O)[C@](C)(O)CCC(C)=O
InChIInChI=1S/C14H18O4/c1-10(15)8-9-14(2,17)13(16)11-6-4-5-7-12(11)18-3/h4-7,17H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyNDOZTCBXQKSSKF-CQSZACIVSA-N
MW250.29 g/mol
LogP2.00
Rot. Bonds6

About (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione

(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione (PubChem CID 101235095) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
PubChem CID101235095
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
SMILESCOc1ccccc1C(=O)[C@](C)(O)CCC(C)=O
InChIInChI=1S/C14H18O4/c1-10(15)8-9-14(2,17)13(16)11-6-4-5-7-12(11)18-3/h4-7,17H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyNDOZTCBXQKSSKF-CQSZACIVSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-1-(2-methoxyphenyl)hexane-1,5-dione
CID 101179657
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
CID 175241707
CID 175241707
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
2,2-dibromo-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 23039923
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686
2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 174547295
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione?
The IUPAC name of (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione (CID 101235095) is (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione.
What is the SMILES notation for (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione?
The canonical SMILES for (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione is COc1ccccc1C(=O)[C@](C)(O)CCC(C)=O.
What is the InChIKey of (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione?
The InChIKey is NDOZTCBXQKSSKF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(15)8-9-14(2,17)13(16)11-6-4-5-7-12(11)18-3/h4-7,17H,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione?
(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione has a molecular weight of 250.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione is sourced from PubChem (CID 101235095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).