1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene

C24H34O3 — CID 174421855

IUPAC1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
SMILESCOc1cccc(C(COCC(c2cccc(OC)c2)C(C)C)C(C)C)c1
InChIInChI=1S/C24H34O3/c1-17(2)23(19-9-7-11-21(13-19)25-5)15-27-16-24(18(3)4)20-10-8-12-22(14-20)26-6/h7-14,17-18,23-24H,15-16H2,1-6H3
InChIKeyGCQDWQSBRZWLBL-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.90
Rot. Bonds10

About 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene

1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene (PubChem CID 174421855) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
PubChem CID174421855
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
SMILESCOc1cccc(C(COCC(c2cccc(OC)c2)C(C)C)C(C)C)c1
InChIInChI=1S/C24H34O3/c1-17(2)23(19-9-7-11-21(13-19)25-5)15-27-16-24(18(3)4)20-10-8-12-22(14-20)26-6/h7-14,17-18,23-24H,15-16H2,1-6H3
InChIKeyGCQDWQSBRZWLBL-UHFFFAOYSA-N
XLogP5.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene?
The IUPAC name of 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene (CID 174421855) is 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene?
The canonical SMILES for 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene is COc1cccc(C(COCC(c2cccc(OC)c2)C(C)C)C(C)C)c1.
What is the InChIKey of 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene?
The InChIKey is GCQDWQSBRZWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-17(2)23(19-9-7-11-21(13-19)25-5)15-27-16-24(18(3)4)20-10-8-12-22(14-20)26-6/h7-14,17-18,23-24H,15-16H2,1-6H3.
What are the key properties of 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene?
1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene has a molecular weight of 370.53 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 174421855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).