1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one

C16H20O4 — CID 163074062

IUPAC1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1OC)O[C@](C)(C(=O)C(C)C)C=C2
InChIInChI=1S/C16H20O4/c1-10(2)15(17)16(3)7-6-11-8-13(18-4)14(19-5)9-12(11)20-16/h6-10H,1-5H3/t16-/m0/s1
InChIKeyOLZLSSLIFGPDDP-INIZCTEOSA-N
MW276.33 g/mol
LogP3.09
Rot. Bonds4

About 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one

1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one (PubChem CID 163074062) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one
PubChem CID163074062
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1OC)O[C@](C)(C(=O)C(C)C)C=C2
InChIInChI=1S/C16H20O4/c1-10(2)15(17)16(3)7-6-11-8-13(18-4)14(19-5)9-12(11)20-16/h6-10H,1-5H3/t16-/m0/s1
InChIKeyOLZLSSLIFGPDDP-INIZCTEOSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937
7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
CID 14427467
7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
CID 14427469
[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl] (Z)-2-methylbut-2-enoate
CID 163186665
(2S)-1-(2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one
CID 118199584
(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide
CID 73333328
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(E)-3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 15293188
1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
CID 132988636
(E)-1-(3,4-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 118057441
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
CID 13422120
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one (CID 163074062) is 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one is COc1cc2c(cc1OC)O[C@](C)(C(=O)C(C)C)C=C2.
What is the InChIKey of 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one?
The InChIKey is OLZLSSLIFGPDDP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20O4/c1-10(2)15(17)16(3)7-6-11-8-13(18-4)14(19-5)9-12(11)20-16/h6-10H,1-5H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one?
1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one has a molecular weight of 276.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6,7-dimethoxy-2-methylchromen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 163074062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).