5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene

C21H28O2 — CID 91446347

IUPAC5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
SMILESCCc1cc(CC(C)CC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28O2/c1-5-16(3)12-19-13-17(6-2)14-20(22-4)21(19)23-15-18-10-8-7-9-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3
InChIKeyNQNAHHWCTZXVBC-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.43
Rot. Bonds8

About 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene

5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene (PubChem CID 91446347) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
PubChem CID91446347
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
SMILESCCc1cc(CC(C)CC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28O2/c1-5-16(3)12-19-13-17(6-2)14-20(22-4)21(19)23-15-18-10-8-7-9-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3
InChIKeyNQNAHHWCTZXVBC-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
CID 143786754
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene?
The IUPAC name of 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene (CID 91446347) is 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene?
The canonical SMILES for 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene is CCc1cc(CC(C)CC)c(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene?
The InChIKey is NQNAHHWCTZXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-5-16(3)12-19-13-17(6-2)14-20(22-4)21(19)23-15-18-10-8-7-9-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3.
What are the key properties of 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene?
5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene has a molecular weight of 312.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 91446347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).