1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate

C19H22O3 — CID 139693405

IUPAC1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate
SMILESCCOc1ccc(-c2ccc(C(C)OC(=O)CC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-4-19(20)22-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-5-2/h6-14H,4-5H2,1-3H3
InChIKeyQJNVWVAWGNBPSG-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.77
Rot. Bonds6

About 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate

1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate (PubChem CID 139693405) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate
PubChem CID139693405
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate
SMILESCCOc1ccc(-c2ccc(C(C)OC(=O)CC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-4-19(20)22-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-5-2/h6-14H,4-5H2,1-3H3
InChIKeyQJNVWVAWGNBPSG-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate
CID 139693551
1-[4-[2-(4-undecoxyphenyl)phenyl]phenyl]ethyl propanoate
CID 139693453
1-[4-(4-butoxyphenyl)phenyl]ethyl dodecanoate
CID 139694035
1-[4-(4-butoxyphenyl)phenyl]ethyl tridecanoate
CID 139693676
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790
1-[4-(4-tridecoxyphenyl)phenyl]ethyl undecanoate
CID 139693507
1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate
CID 14323892
1-[4-(4-pentoxyphenyl)phenyl]ethyl dodecanoate
CID 139693483
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139693656
1-(4-formylphenyl)ethyl propanoate
CID 174338308
ethanol;1-phenylethyl propanoate
CID 175279617
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl pentanoate
CID 139693520

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate?
The IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate (CID 139693405) is 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate is CCOc1ccc(-c2ccc(C(C)OC(=O)CC)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate?
The InChIKey is QJNVWVAWGNBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-19(20)22-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-5-2/h6-14H,4-5H2,1-3H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate?
1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate has a molecular weight of 298.38 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate is sourced from PubChem (CID 139693405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).