7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene

C21H26O5 — CID 23538005

IUPAC7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2C)cc1
InChIInChI=1S/C21H26O5/c1-15-19-10-9-18(26-14-23-4)11-20(19)24-12-21(15,2)16-5-7-17(8-6-16)25-13-22-3/h5-11,15H,12-14H2,1-4H3
InChIKeyVCKROWMWFXWFIU-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.11
Rot. Bonds7

About 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene

7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene (PubChem CID 23538005) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene.

Molecular Properties

Compound Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene
PubChem CID23538005
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene
SMILESCOCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2C)cc1
InChIInChI=1S/C21H26O5/c1-15-19-10-9-18(26-14-23-4)11-20(19)24-12-21(15,2)16-5-7-17(8-6-16)25-13-22-3/h5-11,15H,12-14H2,1-4H3
InChIKeyVCKROWMWFXWFIU-UHFFFAOYSA-N
XLogP4.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene?
The IUPAC name of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene (CID 23538005) is 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene.
What is the SMILES notation for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene?
The canonical SMILES for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene is COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2C)cc1.
What is the InChIKey of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene?
The InChIKey is VCKROWMWFXWFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-15-19-10-9-18(26-14-23-4)11-20(19)24-12-21(15,2)16-5-7-17(8-6-16)25-13-22-3/h5-11,15H,12-14H2,1-4H3.
What are the key properties of 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene?
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene has a molecular weight of 358.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dimethyl-2,4-dihydrochromene is sourced from PubChem (CID 23538005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).