1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate

C25H26O3 — CID 139693551

IUPAC1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate
SMILESCCOc1ccc(-c2ccccc2-c2ccc(C(C)OC(=O)CC)cc2)cc1
InChIInChI=1S/C25H26O3/c1-4-25(26)28-18(3)19-10-12-20(13-11-19)23-8-6-7-9-24(23)21-14-16-22(17-15-21)27-5-2/h6-18H,4-5H2,1-3H3
InChIKeyGQLWGJKVDRFTSF-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.43
Rot. Bonds7

About 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate

1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate (PubChem CID 139693551) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate.

Molecular Properties

Compound Name1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate
PubChem CID139693551
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate
SMILESCCOc1ccc(-c2ccccc2-c2ccc(C(C)OC(=O)CC)cc2)cc1
InChIInChI=1S/C25H26O3/c1-4-25(26)28-18(3)19-10-12-20(13-11-19)23-8-6-7-9-24(23)21-14-16-22(17-15-21)27-5-2/h6-18H,4-5H2,1-3H3
InChIKeyGQLWGJKVDRFTSF-UHFFFAOYSA-N
XLogP6.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethoxyphenyl)phenyl]ethyl propanoate
CID 139693405
1-[4-[2-(4-undecoxyphenyl)phenyl]phenyl]ethyl propanoate
CID 139693453
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139693656
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl pentanoate
CID 139693520
1-ethoxy-4-[2-[4-(1-methoxyethyl)phenyl]phenyl]benzene
CID 139694148
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139694248
1-[4-[2-(4-tetradecoxyphenyl)phenyl]phenyl]ethyl pentadecanoate
CID 139693861
1-[4-[2-(4-tetradecoxyphenyl)phenyl]phenyl]ethyl dodecanoate
CID 139693837
1-[4-[2-(4-octoxyphenyl)phenyl]phenyl]ethyl nonanoate
CID 139693777
1-[4-[2-(4-nonoxyphenyl)phenyl]phenyl]ethyl butanoate
CID 139693943
1-[4-[2-(4-hexoxyphenyl)phenyl]phenyl]ethyl decanoate
CID 139693494
1-[4-[2-(4-undecoxyphenyl)phenyl]phenyl]ethyl butanoate
CID 139693602

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate?
The IUPAC name of 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate (CID 139693551) is 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate.
What is the SMILES notation for 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate?
The canonical SMILES for 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate is CCOc1ccc(-c2ccccc2-c2ccc(C(C)OC(=O)CC)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate?
The InChIKey is GQLWGJKVDRFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-4-25(26)28-18(3)19-10-12-20(13-11-19)23-8-6-7-9-24(23)21-14-16-22(17-15-21)27-5-2/h6-18H,4-5H2,1-3H3.
What are the key properties of 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate?
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate has a molecular weight of 374.48 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate is sourced from PubChem (CID 139693551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).