7-methoxy-3-(4-methoxyphenyl)-2H-chromene

C17H16O3 — CID 58678829

IUPAC7-methoxy-3-(4-methoxyphenyl)-2H-chromene
SMILESCOc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1
InChIInChI=1S/C17H16O3/c1-18-15-6-3-12(4-7-15)14-9-13-5-8-16(19-2)10-17(13)20-11-14/h3-10H,11H2,1-2H3
InChIKeyNLPLCUSXBPSUJV-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.64
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)-2H-chromene

7-methoxy-3-(4-methoxyphenyl)-2H-chromene (PubChem CID 58678829) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-2H-chromene
PubChem CID58678829
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-2H-chromene
SMILESCOc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1
InChIInChI=1S/C17H16O3/c1-18-15-6-3-12(4-7-15)14-9-13-5-8-16(19-2)10-17(13)20-11-14/h3-10H,11H2,1-2H3
InChIKeyNLPLCUSXBPSUJV-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
CID 70423170
6-methoxy-1,2-dihydrocyclopenta[b]chromene
CID 86188658
[4-[7-(2-propylpentanoyloxy)-2H-chromen-3-yl]phenyl] 2-propylpentanoate
CID 166992969
[3-(4-methoxyphenyl)-8-methyl-2H-chromen-7-yl] acetate
CID 157129087
8-methoxy-2,3-dihydro-1-benzoxepine-4-carbonyl chloride
CID 23045009
3-(3-hydroxy-4,5-dimethoxyphenyl)-2H-chromen-7-ol
CID 102080181
6-methoxy-1-benzofuran-3-one
CID 585368
(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17479121
3,7-dimethoxy-2,2-dimethylchromene
CID 70516159
methyl 3-(3,5-ditert-butyl-4-methoxyphenyl)-2H-chromene-7-carboxylate
CID 67645384
N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 46976808

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-2H-chromene?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-2H-chromene (CID 58678829) is 7-methoxy-3-(4-methoxyphenyl)-2H-chromene.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-2H-chromene?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-2H-chromene is COc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-2H-chromene?
The InChIKey is NLPLCUSXBPSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-18-15-6-3-12(4-7-15)14-9-13-5-8-16(19-2)10-17(13)20-11-14/h3-10H,11H2,1-2H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-2H-chromene?
7-methoxy-3-(4-methoxyphenyl)-2H-chromene has a molecular weight of 268.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-2H-chromene is sourced from PubChem (CID 58678829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).