1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene

C25H36O2 — CID 19606416

IUPAC1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
SMILESCCCC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C25H36O2/c1-5-9-22(13-12-20(2)3)18-23-14-15-24(26-4)25(19-23)27-17-16-21-10-7-6-8-11-21/h6-8,10-11,14-15,19-20,22H,5,9,12-13,16-18H2,1-4H3
InChIKeyWQIHBLJNDRGDSV-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.71
Rot. Bonds12

About 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene

1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene (PubChem CID 19606416) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
PubChem CID19606416
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
SMILESCCCC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C25H36O2/c1-5-9-22(13-12-20(2)3)18-23-14-15-24(26-4)25(19-23)27-17-16-21-10-7-6-8-11-21/h6-8,10-11,14-15,19-20,22H,5,9,12-13,16-18H2,1-4H3
InChIKeyWQIHBLJNDRGDSV-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
CID 10522764
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 10811587
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 100949068
dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate
CID 142630934
2-(ethoxymethyl)-2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]propanedioic acid
CID 139726344
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-3-propan-2-ylsulfonylpropan-2-amine;hydrochloride
CID 139726345
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]heptan-1-amine;hydrochloride
CID 17333184

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene?
The IUPAC name of 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene (CID 19606416) is 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene?
The canonical SMILES for 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene is CCCC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1.
What is the InChIKey of 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene?
The InChIKey is WQIHBLJNDRGDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-5-9-22(13-12-20(2)3)18-23-14-15-24(26-4)25(19-23)27-17-16-21-10-7-6-8-11-21/h6-8,10-11,14-15,19-20,22H,5,9,12-13,16-18H2,1-4H3.
What are the key properties of 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene?
1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene has a molecular weight of 368.56 g/mol, XLogP of 6.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene is sourced from PubChem (CID 19606416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).