[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate

C18H14Cl2O4 — CID 163406918

IUPAC[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(Cl)c(OC(=O)C(=C)C)c2ccc(Cl)cc12
InChIInChI=1S/C18H14Cl2O4/c1-9(2)17(21)23-15-8-14(20)16(24-18(22)10(3)4)12-6-5-11(19)7-13(12)15/h5-8H,1,3H2,2,4H3
InChIKeyOTNPDSOEEWHUBV-UHFFFAOYSA-N
MW365.21 g/mol
LogP5.11
Rot. Bonds4

About [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate

[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate (PubChem CID 163406918) has the molecular formula C18H14Cl2O4 and a molecular weight of 365.21 g/mol. Its IUPAC name is [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
PubChem CID163406918
Molecular FormulaC18H14Cl2O4
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(Cl)c(OC(=O)C(=C)C)c2ccc(Cl)cc12
InChIInChI=1S/C18H14Cl2O4/c1-9(2)17(21)23-15-8-14(20)16(24-18(22)10(3)4)12-6-5-11(19)7-13(12)15/h5-8H,1,3H2,2,4H3
InChIKeyOTNPDSOEEWHUBV-UHFFFAOYSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406978
[7-chloro-3-ethyl-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406554
[6-chloro-4-methoxycarbonyloxy-1-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 163406887
[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 163406923
[7-chloro-4-(2-methylprop-2-enoyloxy)-3-phenylsulfanylnaphthalen-1-yl] 2-methylprop-2-enoate
CID 163406849
(2-acetyloxy-6-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406621
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
[6-chloro-2-(dimethylamino)-4-hydroxynaphthalen-1-yl] 2-methylprop-2-enoate
CID 163407053
(6-chloro-2-methylsulfanyl-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407028
5-chloro-2-(2-methylprop-2-enoyloxy)benzoic acid
CID 22095550
(2,6-dichloro-10-hydroxy-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406920
(2,6-dichloro-10-methoxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406999

Frequently Asked Questions

What is the IUPAC name of [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate (CID 163406918) is [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(Cl)c(OC(=O)C(=C)C)c2ccc(Cl)cc12.
What is the InChIKey of [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The InChIKey is OTNPDSOEEWHUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O4/c1-9(2)17(21)23-15-8-14(20)16(24-18(22)10(3)4)12-6-5-11(19)7-13(12)15/h5-8H,1,3H2,2,4H3.
What are the key properties of [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate has a molecular weight of 365.21 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 163406918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).