(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

C24H21NO3 — CID 10090611

IUPAC(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCC1(C)C=Cc2cc(C(=O)c3cccc(OCc4cccnc4)c3)ccc2O1
InChIInChI=1S/C24H21NO3/c1-24(2)11-10-18-13-20(8-9-22(18)28-24)23(26)19-6-3-7-21(14-19)27-16-17-5-4-12-25-15-17/h3-15H,16H2,1-2H3
InChIKeyWKIMYTPOHUIPLT-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.08
Rot. Bonds5

About (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 10090611) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID10090611
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCC1(C)C=Cc2cc(C(=O)c3cccc(OCc4cccnc4)c3)ccc2O1
InChIInChI=1S/C24H21NO3/c1-24(2)11-10-18-13-20(8-9-22(18)28-24)23(26)19-6-3-7-21(14-19)27-16-17-5-4-12-25-15-17/h3-15H,16H2,1-2H3
InChIKeyWKIMYTPOHUIPLT-UHFFFAOYSA-N
XLogP5.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 126780431
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 10090611) is (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is CC1(C)C=Cc2cc(C(=O)c3cccc(OCc4cccnc4)c3)ccc2O1.
What is the InChIKey of (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is WKIMYTPOHUIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-24(2)11-10-18-13-20(8-9-22(18)28-24)23(26)19-6-3-7-21(14-19)27-16-17-5-4-12-25-15-17/h3-15H,16H2,1-2H3.
What are the key properties of (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 371.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 10090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).