1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene

C23H24O3 — CID 91047255

IUPAC1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene
SMILESCOc1ccccc1-c1c(C(C)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C23H24O3/c1-16(17-10-6-5-7-11-17)18-14-15-21(25-3)23(26-4)22(18)19-12-8-9-13-20(19)24-2/h5-16H,1-4H3
InChIKeyPZBMCMDNEAGFKU-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.53
Rot. Bonds6

About 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene

1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene (PubChem CID 91047255) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene
PubChem CID91047255
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene
SMILESCOc1ccccc1-c1c(C(C)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C23H24O3/c1-16(17-10-6-5-7-11-17)18-14-15-21(25-3)23(26-4)22(18)19-12-8-9-13-20(19)24-2/h5-16H,1-4H3
InChIKeyPZBMCMDNEAGFKU-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4,5-dimethoxy-2-(1-phenylethyl)isoindole-1,3-dione
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2-[3-[1-(2-methoxyphenyl)ethyl]phenyl]-6-phenylphenol
CID 58238588
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
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1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
CID 69457380
5,6-bis(2-methoxyphenyl)tetrathiine
CID 101437216
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
CID 16736122
2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
CID 175345189
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1,2-dimethoxybiphenylene;isocyanic acid
CID 87379313

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene?
The IUPAC name of 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene (CID 91047255) is 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene?
The canonical SMILES for 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene is COc1ccccc1-c1c(C(C)c2ccccc2)ccc(OC)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene?
The InChIKey is PZBMCMDNEAGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-16(17-10-6-5-7-11-17)18-14-15-21(25-3)23(26-4)22(18)19-12-8-9-13-20(19)24-2/h5-16H,1-4H3.
What are the key properties of 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene?
1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene has a molecular weight of 348.44 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene is sourced from PubChem (CID 91047255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).