[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate

C18H15ClO5 — CID 163406978

IUPAC[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(O)c(OC(=O)C(=C)C)c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClO5/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/h5-8,20H,1,3H2,2,4H3
InChIKeyFAODHUQUADVQSG-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.16
Rot. Bonds4

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

[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate (PubChem CID 163406978) has the molecular formula C18H15ClO5 and a molecular weight of 346.77 g/mol. Its IUPAC name is [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
PubChem CID163406978
Molecular FormulaC18H15ClO5
Molecular Weight346.77 g/mol
Exact Mass346.06
IUPAC Name[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(O)c(OC(=O)C(=C)C)c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClO5/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/h5-8,20H,1,3H2,2,4H3
InChIKeyFAODHUQUADVQSG-UHFFFAOYSA-N
XLogP4.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
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

[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406918
[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-2-(dimethylamino)-4-hydroxynaphthalen-1-yl] 2-methylprop-2-enoate
CID 163407053
[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 163406923
(7-chloro-3-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406551
[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
(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 [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate (CID 163406978) is [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(O)c(OC(=O)C(=C)C)c2ccc(Cl)cc12.
What is the InChIKey of [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
The InChIKey is FAODHUQUADVQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO5/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/h5-8,20H,1,3H2,2,4H3.
What are the key properties of [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate?
[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate has a molecular weight of 346.77 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 163406978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).