1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

C17H20O3 — CID 15693460

IUPAC1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C17H20O3/c1-18-15-6-4-5-13(9-15)7-8-14-10-16(19-2)12-17(11-14)20-3/h4-6,9-12H,7-8H2,1-3H3
InChIKeyJKLWPFRFUHSWOA-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.50
Rot. Bonds6

About 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (PubChem CID 15693460) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
PubChem CID15693460
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C17H20O3/c1-18-15-6-4-5-13(9-15)7-8-14-10-16(19-2)12-17(11-14)20-3/h4-6,9-12H,7-8H2,1-3H3
InChIKeyJKLWPFRFUHSWOA-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pterostilbene
CID 5281727
Elemicin
CID 10248
(+-)-Cannabichromene
CID 30219
3-Methoxy-5-Methylphenol
CID 76674
Trismethoxyresveratrol
CID 5388063
Pinostilbene
CID 5473050
Pinosylvin monomethyl ether
CID 5281719
3,5-Dimethoxytoluene
CID 77844
2,3',4,5'-Tetramethoxystilbene
CID 5354004
Desoxyrhapontigenin
CID 6255462
Batatasin Iii
CID 10466989
Isoelemicin
CID 5318557

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (CID 15693460) is 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is COc1cccc(CCc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The InChIKey is JKLWPFRFUHSWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-18-15-6-4-5-13(9-15)7-8-14-10-16(19-2)12-17(11-14)20-3/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene has a molecular weight of 272.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 15693460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).