ethyl 5-(4-phenoxyphenyl)pentanoate

C19H22O3 — CID 10494313

IUPACethyl 5-(4-phenoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-2-21-19(20)11-7-6-8-16-12-14-18(15-13-16)22-17-9-4-3-5-10-17/h3-5,9-10,12-15H,2,6-8,11H2,1H3
InChIKeyLMNNFEKMWMBZBE-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.75
Rot. Bonds8

About ethyl 5-(4-phenoxyphenyl)pentanoate

ethyl 5-(4-phenoxyphenyl)pentanoate (PubChem CID 10494313) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 5-(4-phenoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(4-phenoxyphenyl)pentanoate
PubChem CID10494313
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nameethyl 5-(4-phenoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-2-21-19(20)11-7-6-8-16-12-14-18(15-13-16)22-17-9-4-3-5-10-17/h3-5,9-10,12-15H,2,6-8,11H2,1H3
InChIKeyLMNNFEKMWMBZBE-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[4-(3-methylphenoxy)phenyl]pentanoate
CID 139655795
ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
CID 161119875
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-phenoxyphenyl)pentanoate?
The IUPAC name of ethyl 5-(4-phenoxyphenyl)pentanoate (CID 10494313) is ethyl 5-(4-phenoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(4-phenoxyphenyl)pentanoate?
The canonical SMILES for ethyl 5-(4-phenoxyphenyl)pentanoate is CCOC(=O)CCCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 5-(4-phenoxyphenyl)pentanoate?
The InChIKey is LMNNFEKMWMBZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-21-19(20)11-7-6-8-16-12-14-18(15-13-16)22-17-9-4-3-5-10-17/h3-5,9-10,12-15H,2,6-8,11H2,1H3.
What are the key properties of ethyl 5-(4-phenoxyphenyl)pentanoate?
ethyl 5-(4-phenoxyphenyl)pentanoate has a molecular weight of 298.38 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-phenoxyphenyl)pentanoate is sourced from PubChem (CID 10494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).