1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene

C23H24O3 — CID 13360661

IUPAC1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
SMILESCOc1ccc(C)cc1-c1cccc(-c2cc(C)ccc2OC)c1OC
InChIInChI=1S/C23H24O3/c1-15-9-11-21(24-3)19(13-15)17-7-6-8-18(23(17)26-5)20-14-16(2)10-12-22(20)25-4/h6-14H,1-5H3
InChIKeyIKYPMQWOLWBHHI-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.66
Rot. Bonds5

About 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene

1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene (PubChem CID 13360661) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
PubChem CID13360661
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
SMILESCOc1ccc(C)cc1-c1cccc(-c2cc(C)ccc2OC)c1OC
InChIInChI=1S/C23H24O3/c1-15-9-11-21(24-3)19(13-15)17-7-6-8-18(23(17)26-5)20-14-16(2)10-12-22(20)25-4/h6-14H,1-5H3
InChIKeyIKYPMQWOLWBHHI-UHFFFAOYSA-N
XLogP5.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
CID 110447871
2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
CID 143390166

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene?
The IUPAC name of 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene (CID 13360661) is 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene.
What is the SMILES notation for 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene?
The canonical SMILES for 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene is COc1ccc(C)cc1-c1cccc(-c2cc(C)ccc2OC)c1OC.
What is the InChIKey of 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene?
The InChIKey is IKYPMQWOLWBHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-15-9-11-21(24-3)19(13-15)17-7-6-8-18(23(17)26-5)20-14-16(2)10-12-22(20)25-4/h6-14H,1-5H3.
What are the key properties of 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene?
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene has a molecular weight of 348.44 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene is sourced from PubChem (CID 13360661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).