7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene

C33H42O5 — CID 59109821

IUPAC7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene
SMILESCCCOc1ccc(CCCCC2c3ccc(OCOC)cc3OCC2(C)c2ccc(COC)cc2)cc1
InChIInChI=1S/C33H42O5/c1-5-20-36-28-16-12-25(13-17-28)8-6-7-9-31-30-19-18-29(38-24-35-4)21-32(30)37-23-33(31,2)27-14-10-26(11-15-27)22-34-3/h10-19,21,31H,5-9,20,22-24H2,1-4H3
InChIKeyRBOBLOVDZQYOKD-UHFFFAOYSA-N
MW518.69 g/mol
LogP7.45
Rot. Bonds14

About 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene

7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene (PubChem CID 59109821) has the molecular formula C33H42O5 and a molecular weight of 518.69 g/mol. Its IUPAC name is 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene.

Molecular Properties

Compound Name7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene
PubChem CID59109821
Molecular FormulaC33H42O5
Molecular Weight518.69 g/mol
Exact Mass518.30
IUPAC Name7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene
SMILESCCCOc1ccc(CCCCC2c3ccc(OCOC)cc3OCC2(C)c2ccc(COC)cc2)cc1
InChIInChI=1S/C33H42O5/c1-5-20-36-28-16-12-25(13-17-28)8-6-7-9-31-30-19-18-29(38-24-35-4)21-32(30)37-23-33(31,2)27-14-10-26(11-15-27)22-34-3/h10-19,21,31H,5-9,20,22-24H2,1-4H3
InChIKeyRBOBLOVDZQYOKD-UHFFFAOYSA-N
XLogP7.45
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene?
The IUPAC name of 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene (CID 59109821) is 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene.
What is the SMILES notation for 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene?
The canonical SMILES for 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene is CCCOc1ccc(CCCCC2c3ccc(OCOC)cc3OCC2(C)c2ccc(COC)cc2)cc1.
What is the InChIKey of 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene?
The InChIKey is RBOBLOVDZQYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O5/c1-5-20-36-28-16-12-25(13-17-28)8-6-7-9-31-30-19-18-29(38-24-35-4)21-32(30)37-23-33(31,2)27-14-10-26(11-15-27)22-34-3/h10-19,21,31H,5-9,20,22-24H2,1-4H3.
What are the key properties of 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene?
7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene has a molecular weight of 518.69 g/mol, XLogP of 7.45, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-3-[4-(methoxymethyl)phenyl]-3-methyl-4-[4-(4-propoxyphenyl)butyl]-2,4-dihydrochromene is sourced from PubChem (CID 59109821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).