4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene

C24H26O3 — CID 21466253

IUPAC4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
SMILESCCOc1ccc(Oc2ccc(OCc3ccccc3)c(C(C)C)c2)cc1
InChIInChI=1S/C24H26O3/c1-4-25-20-10-12-21(13-11-20)27-22-14-15-24(23(16-22)18(2)3)26-17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3
InChIKeyQNRJEXQRJGVMRH-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.58
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene

4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene (PubChem CID 21466253) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
PubChem CID21466253
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
SMILESCCOc1ccc(Oc2ccc(OCc3ccccc3)c(C(C)C)c2)cc1
InChIInChI=1S/C24H26O3/c1-4-25-20-10-12-21(13-11-20)27-22-14-15-24(23(16-22)18(2)3)26-17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3
InChIKeyQNRJEXQRJGVMRH-UHFFFAOYSA-N
XLogP6.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene
CID 23031219
4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
CID 21466412
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
ethyl 2-[[6-methyl-7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene-4-carbonyl]amino]acetate
CID 90855648
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
CID 12765877
3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate
CID 159260366
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene?
The IUPAC name of 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene (CID 21466253) is 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene?
The canonical SMILES for 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene is CCOc1ccc(Oc2ccc(OCc3ccccc3)c(C(C)C)c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene?
The InChIKey is QNRJEXQRJGVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-4-25-20-10-12-21(13-11-20)27-22-14-15-24(23(16-22)18(2)3)26-17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene?
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene has a molecular weight of 362.47 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 21466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).