ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane

C22H36O2 — CID 142071231

IUPACethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
SMILESCC.CC.CCC.CCc1ccc(Oc2ccccc2)cc1OC
InChIInChI=1S/C15H16O2.C3H8.2C2H6/c1-3-12-9-10-14(11-15(12)16-2)17-13-7-5-4-6-8-13;1-3-2;2*1-2/h4-11H,3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyFAERRFAHPKDYPE-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.52
Rot. Bonds4

About ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane

ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane (PubChem CID 142071231) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane.

Molecular Properties

Compound Nameethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
PubChem CID142071231
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Nameethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
SMILESCC.CC.CCC.CCc1ccc(Oc2ccccc2)cc1OC
InChIInChI=1S/C15H16O2.C3H8.2C2H6/c1-3-12-9-10-14(11-15(12)16-2)17-13-7-5-4-6-8-13;1-3-2;2*1-2/h4-11H,3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyFAERRFAHPKDYPE-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
ethane;phenoxybenzene;propane
CID 90923491
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
CID 168868572
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
(2-methoxy-4-phenoxyphenyl)hydrazine
CID 118138218
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623
4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane?
The IUPAC name of ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane (CID 142071231) is ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane.
What is the SMILES notation for ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane?
The canonical SMILES for ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane is CC.CC.CCC.CCc1ccc(Oc2ccccc2)cc1OC.
What is the InChIKey of ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane?
The InChIKey is FAERRFAHPKDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C3H8.2C2H6/c1-3-12-9-10-14(11-15(12)16-2)17-13-7-5-4-6-8-13;1-3-2;2*1-2/h4-11H,3H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane?
ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane has a molecular weight of 332.53 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane is sourced from PubChem (CID 142071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).