(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate

C20H15ClO3 — CID 163406654

IUPAC(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Cl)cc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C20H15ClO3/c1-13(2)20(22)24-19-16-11-7-6-10-15(16)18(12-17(19)21)23-14-8-4-3-5-9-14/h3-12H,1H2,2H3
InChIKeyDBEUDBPUDQJPLA-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.77
Rot. Bonds4

About (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate

(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 163406654) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID163406654
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Cl)cc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C20H15ClO3/c1-13(2)20(22)24-19-16-11-7-6-10-15(16)18(12-17(19)21)23-14-8-4-3-5-9-14/h3-12H,1H2,2H3
InChIKeyDBEUDBPUDQJPLA-UHFFFAOYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 163406923
(2-acetyloxy-6-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406621
(6-chloro-2-methylsulfanyl-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407028
[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406918
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
(10-phenoxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) 2-methylprop-2-enoate
CID 163406847
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[7-chloro-4-(2-methylprop-2-enoyloxy)-3-phenylsulfanylnaphthalen-1-yl] 2-methylprop-2-enoate
CID 163406849

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate (CID 163406654) is (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(Cl)cc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is DBEUDBPUDQJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c1-13(2)20(22)24-19-16-11-7-6-10-15(16)18(12-17(19)21)23-14-8-4-3-5-9-14/h3-12H,1H2,2H3.
What are the key properties of (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 338.79 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163406654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).