7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one

C18H19NO3 — CID 156871495

IUPAC7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(COc2ccc3c(c2C)OCCC3=O)cc(C)n1
InChIInChI=1S/C18H19NO3/c1-11-8-14(9-12(2)19-11)10-22-17-5-4-15-16(20)6-7-21-18(15)13(17)3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyNXIWYUFBTLHIQU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.55
Rot. Bonds3

About 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one

7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 156871495) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
PubChem CID156871495
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(COc2ccc3c(c2C)OCCC3=O)cc(C)n1
InChIInChI=1S/C18H19NO3/c1-11-8-14(9-12(2)19-11)10-22-17-5-4-15-16(20)6-7-21-18(15)13(17)3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyNXIWYUFBTLHIQU-UHFFFAOYSA-N
XLogP3.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
CID 156871270
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
7-[(4-methoxyphenyl)methoxy]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrochromen-4-one
CID 156870862
4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(8-iodo-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
CID 175856789
3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 168740771
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
CID 142322438
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 156871065
4-[[2-(2,6-dimethyl-4-pyridinyl)-8-iodo-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzonitrile
CID 156871471
5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide
CID 156871443
methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
CID 175856803
2-[(4-oxo-2,3-dihydrochromen-8-yl)oxy]acetic acid
CID 18471063

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one (CID 156871495) is 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one is Cc1cc(COc2ccc3c(c2C)OCCC3=O)cc(C)n1.
What is the InChIKey of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is NXIWYUFBTLHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-8-14(9-12(2)19-11)10-22-17-5-4-15-16(20)6-7-21-18(15)13(17)3/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one?
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 297.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156871495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).