1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene

C24H26O2 — CID 174428153

IUPAC1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
SMILESCOc1c(Cc2ccccc2)cc(Oc2ccc(C)cc2)cc1C(C)C
InChIInChI=1S/C24H26O2/c1-17(2)23-16-22(26-21-12-10-18(3)11-13-21)15-20(24(23)25-4)14-19-8-6-5-7-9-19/h5-13,15-17H,14H2,1-4H3
InChIKeyZMVADWJQYDPRJT-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.51
Rot. Bonds6

About 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene

1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene (PubChem CID 174428153) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
PubChem CID174428153
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
SMILESCOc1c(Cc2ccccc2)cc(Oc2ccc(C)cc2)cc1C(C)C
InChIInChI=1S/C24H26O2/c1-17(2)23-16-22(26-21-12-10-18(3)11-13-21)15-20(24(23)25-4)14-19-8-6-5-7-9-19/h5-13,15-17H,14H2,1-4H3
InChIKeyZMVADWJQYDPRJT-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-(2,6-dibromo-4-methylphenoxy)-2-methoxy-3-propan-2-ylbenzene
CID 174428165
[4-(3-benzyl-4-methoxy-5-propan-2-ylphenoxy)phenyl]methyl acetate
CID 174428167
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
1-benzyl-2-propan-2-ylbenzene
CID 13215617
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
CID 167608354
3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
CID 173340893
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 54421334
(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
CID 24800476
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene?
The IUPAC name of 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene (CID 174428153) is 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene?
The canonical SMILES for 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene is COc1c(Cc2ccccc2)cc(Oc2ccc(C)cc2)cc1C(C)C.
What is the InChIKey of 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene?
The InChIKey is ZMVADWJQYDPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-17(2)23-16-22(26-21-12-10-18(3)11-13-21)15-20(24(23)25-4)14-19-8-6-5-7-9-19/h5-13,15-17H,14H2,1-4H3.
What are the key properties of 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene?
1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene has a molecular weight of 346.47 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene is sourced from PubChem (CID 174428153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).