2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)

C32H37FO6 — CID 144896572

IUPAC2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCCOc1ccccc1.C=C(C)C(=O)OCCOc1ccccc1.Cc1ccc(C)c(F)c1
InChIInChI=1S/2C12H14O3.C8H9F/c2*1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-6-3-4-7(2)8(9)5-6/h2*3-7H,1,8-9H2,2H3;3-5H,1-2H3
InChIKeyCSLHIPQMGNRFCH-UHFFFAOYSA-N
MW536.64 g/mol
LogP6.81
Rot. Bonds10

About 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)

2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate) (PubChem CID 144896572) has the molecular formula C32H37FO6 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate).

Molecular Properties

Compound Name2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)
PubChem CID144896572
Molecular FormulaC32H37FO6
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCCOc1ccccc1.C=C(C)C(=O)OCCOc1ccccc1.Cc1ccc(C)c(F)c1
InChIInChI=1S/2C12H14O3.C8H9F/c2*1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-6-3-4-7(2)8(9)5-6/h2*3-7H,1,8-9H2,2H3;3-5H,1-2H3
InChIKeyCSLHIPQMGNRFCH-UHFFFAOYSA-N
XLogP6.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(2-phenoxyethyl) 2-acetyl-3-methylidenebutanedioate
CID 69167558
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324
ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 156747138
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 153322915
2-[4-[2-fluoro-4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027175
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)?
The IUPAC name of 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate) (CID 144896572) is 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate).
What is the SMILES notation for 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)?
The canonical SMILES for 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate) is C=C(C)C(=O)OCCOc1ccccc1.C=C(C)C(=O)OCCOc1ccccc1.Cc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)?
The InChIKey is CSLHIPQMGNRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14O3.C8H9F/c2*1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11;1-6-3-4-7(2)8(9)5-6/h2*3-7H,1,8-9H2,2H3;3-5H,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)?
2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate) has a molecular weight of 536.64 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate) is sourced from PubChem (CID 144896572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).