1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene

C20H26O4 — CID 130368760

IUPAC1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene
SMILESCCOc1cc(OC)c(OC)cc1C(C)COCc1ccccc1
InChIInChI=1S/C20H26O4/c1-5-24-18-12-20(22-4)19(21-3)11-17(18)15(2)13-23-14-16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3
InChIKeyPFHBVPUUBYJRSZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.42
Rot. Bonds9

About 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene

1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene (PubChem CID 130368760) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene
PubChem CID130368760
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene
SMILESCCOc1cc(OC)c(OC)cc1C(C)COCc1ccccc1
InChIInChI=1S/C20H26O4/c1-5-24-18-12-20(22-4)19(21-3)11-17(18)15(2)13-23-14-16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3
InChIKeyPFHBVPUUBYJRSZ-UHFFFAOYSA-N
XLogP4.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate
CID 10667877
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene?
The IUPAC name of 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene (CID 130368760) is 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene.
What is the SMILES notation for 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene?
The canonical SMILES for 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene is CCOc1cc(OC)c(OC)cc1C(C)COCc1ccccc1.
What is the InChIKey of 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene?
The InChIKey is PFHBVPUUBYJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-5-24-18-12-20(22-4)19(21-3)11-17(18)15(2)13-23-14-16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene?
1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene has a molecular weight of 330.42 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene is sourced from PubChem (CID 130368760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).