(2,4-difluorophenyl) 4-propylbenzoate

C16H14F2O2 — CID 23391163

IUPAC(2,4-difluorophenyl) 4-propylbenzoate
SMILESCCCc1ccc(C(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-2-3-11-4-6-12(7-5-11)16(19)20-15-9-8-13(17)10-14(15)18/h4-10H,2-3H2,1H3
InChIKeyWOAQZEUKCGCPAW-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.14
Rot. Bonds4

About (2,4-difluorophenyl) 4-propylbenzoate

(2,4-difluorophenyl) 4-propylbenzoate (PubChem CID 23391163) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,4-difluorophenyl) 4-propylbenzoate.

Molecular Properties

Compound Name(2,4-difluorophenyl) 4-propylbenzoate
PubChem CID23391163
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2,4-difluorophenyl) 4-propylbenzoate
SMILESCCCc1ccc(C(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-2-3-11-4-6-12(7-5-11)16(19)20-15-9-8-13(17)10-14(15)18/h4-10H,2-3H2,1H3
InChIKeyWOAQZEUKCGCPAW-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluoro-4-propylphenyl) 4-propylbenzoate
CID 54565764
(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
CID 54381935
(3,4,5-trifluorophenyl) 4-(4-propylphenyl)benzoate
CID 19035307
(3-fluoro-4-sulfanylphenyl) 4-propylbenzoate
CID 173376214
[3-(difluoromethyl)-2-fluoro-4-methylphenyl] 4-propylbenzoate
CID 58953490
(2-fluoro-4-propylphenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854655
4-[4-(4-decylphenyl)benzoyl]oxy-3-fluorobenzoic acid
CID 139666010
(2,4-difluorophenyl) propanoate
CID 18525986
(4-propylphenyl) 3-fluorobenzoate
CID 19175128
[4-[3-propyl-4-[4-(4-propylbenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-propylbenzoate
CID 134472247
(4-ethyl-2-fluorophenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate;(2-fluoro-4-propylphenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate
CID 88595180
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) 4-propylbenzoate?
The IUPAC name of (2,4-difluorophenyl) 4-propylbenzoate (CID 23391163) is (2,4-difluorophenyl) 4-propylbenzoate.
What is the SMILES notation for (2,4-difluorophenyl) 4-propylbenzoate?
The canonical SMILES for (2,4-difluorophenyl) 4-propylbenzoate is CCCc1ccc(C(=O)Oc2ccc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluorophenyl) 4-propylbenzoate?
The InChIKey is WOAQZEUKCGCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-3-11-4-6-12(7-5-11)16(19)20-15-9-8-13(17)10-14(15)18/h4-10H,2-3H2,1H3.
What are the key properties of (2,4-difluorophenyl) 4-propylbenzoate?
(2,4-difluorophenyl) 4-propylbenzoate has a molecular weight of 276.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) 4-propylbenzoate is sourced from PubChem (CID 23391163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).