1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene

C20H26O3 — CID 10358281

IUPAC1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCc2cc(OC)c(C(C)C)c(OC)c2)cc1
InChIInChI=1S/C20H26O3/c1-14(2)20-18(22-4)12-16(13-19(20)23-5)7-6-15-8-10-17(21-3)11-9-15/h8-14H,6-7H2,1-5H3
InChIKeyCFJVLOTXSKZBLI-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.62
Rot. Bonds7

About 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene

1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene (PubChem CID 10358281) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
PubChem CID10358281
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCc2cc(OC)c(C(C)C)c(OC)c2)cc1
InChIInChI=1S/C20H26O3/c1-14(2)20-18(22-4)12-16(13-19(20)23-5)7-6-15-8-10-17(21-3)11-9-15/h8-14H,6-7H2,1-5H3
InChIKeyCFJVLOTXSKZBLI-UHFFFAOYSA-N
XLogP4.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene?
The IUPAC name of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene (CID 10358281) is 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene is COc1ccc(CCc2cc(OC)c(C(C)C)c(OC)c2)cc1.
What is the InChIKey of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene?
The InChIKey is CFJVLOTXSKZBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-14(2)20-18(22-4)12-16(13-19(20)23-5)7-6-15-8-10-17(21-3)11-9-15/h8-14H,6-7H2,1-5H3.
What are the key properties of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene?
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene has a molecular weight of 314.43 g/mol, XLogP of 4.62, 7 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-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 10358281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).