4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene

C27H24O2 — CID 173306143

IUPAC4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
SMILESCOc1c(-c2ccccc2)cc(C)c(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H24O2/c1-20-18-24(22-14-8-4-9-15-22)27(28-2)25(23-16-10-5-11-17-23)26(20)29-19-21-12-6-3-7-13-21/h3-18H,19H2,1-2H3
InChIKeyIQEMVISWEBYWPX-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.92
Rot. Bonds6

About 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene

4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene (PubChem CID 173306143) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
PubChem CID173306143
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
SMILESCOc1c(-c2ccccc2)cc(C)c(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H24O2/c1-20-18-24(22-14-8-4-9-15-22)27(28-2)25(23-16-10-5-11-17-23)26(20)29-19-21-12-6-3-7-13-21/h3-18H,19H2,1-2H3
InChIKeyIQEMVISWEBYWPX-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
CID 71601620
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171234071

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene?
The IUPAC name of 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene (CID 173306143) is 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene.
What is the SMILES notation for 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene?
The canonical SMILES for 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene is COc1c(-c2ccccc2)cc(C)c(OCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene?
The InChIKey is IQEMVISWEBYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-20-18-24(22-14-8-4-9-15-22)27(28-2)25(23-16-10-5-11-17-23)26(20)29-19-21-12-6-3-7-13-21/h3-18H,19H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene?
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene has a molecular weight of 380.49 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene is sourced from PubChem (CID 173306143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).