[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate

C24H19ClO5 — CID 163406923

IUPAC[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(Oc2ccccc2)c2cc(Cl)ccc2c1OC(=O)C(=C)C
InChIInChI=1S/C24H19ClO5/c1-14(2)23(26)29-21-13-20(28-17-8-6-5-7-9-17)19-12-16(25)10-11-18(19)22(21)30-24(27)15(3)4/h5-13H,1,3H2,2,4H3
InChIKeyIGSQNEUYLCXYQD-UHFFFAOYSA-N
MW422.86 g/mol
LogP6.25
Rot. Bonds6

About [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate

[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 163406923) has the molecular formula C24H19ClO5 and a molecular weight of 422.86 g/mol. Its IUPAC name is [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID163406923
Molecular FormulaC24H19ClO5
Molecular Weight422.86 g/mol
Exact Mass422.09
IUPAC Name[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(Oc2ccccc2)c2cc(Cl)ccc2c1OC(=O)C(=C)C
InChIInChI=1S/C24H19ClO5/c1-14(2)23(26)29-21-13-20(28-17-8-6-5-7-9-17)19-12-16(25)10-11-18(19)22(21)30-24(27)15(3)4/h5-13H,1,3H2,2,4H3
InChIKeyIGSQNEUYLCXYQD-UHFFFAOYSA-N
XLogP6.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.86
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-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
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
[6-chloro-4-methoxycarbonyloxy-1-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 163406887
[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406918
[7-chloro-4-(2-methylprop-2-enoyloxy)-3-phenylsulfanylnaphthalen-1-yl] 2-methylprop-2-enoate
CID 163406849
[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406978
(6-chloro-4-methoxycarbonyloxy-2-phenoxynaphthalen-1-yl) prop-2-enoate
CID 163407181
[7-chloro-3-ethyl-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406554
benzyl (6-chloro-2-phenoxy-4-phenylmethoxycarbonyloxynaphthalen-1-yl) carbonate
CID 19886566
[6-chloro-2-(diethylamino)-4-phenoxynaphthalen-1-yl] prop-2-enoate
CID 163407115

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate (CID 163406923) is [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(Oc2ccccc2)c2cc(Cl)ccc2c1OC(=O)C(=C)C.
What is the InChIKey of [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is IGSQNEUYLCXYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO5/c1-14(2)23(26)29-21-13-20(28-17-8-6-5-7-9-17)19-12-16(25)10-11-18(19)22(21)30-24(27)15(3)4/h5-13H,1,3H2,2,4H3.
What are the key properties of [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate?
[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 422.86 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 163406923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).