(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate

C18H16O5 — CID 163406680

IUPAC(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccc(C)cc12
InChIInChI=1S/C18H16O5/c1-5-16(19)22-14-10-15(21-4)18(23-17(20)6-2)12-8-7-11(3)9-13(12)14/h5-10H,1-2H2,3-4H3
InChIKeyFJRHERHVBPGFMS-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.34
Rot. Bonds5

About (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate

(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate (PubChem CID 163406680) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
PubChem CID163406680
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccc(C)cc12
InChIInChI=1S/C18H16O5/c1-5-16(19)22-14-10-15(21-4)18(23-17(20)6-2)12-8-7-11(3)9-13(12)14/h5-10H,1-2H2,3-4H3
InChIKeyFJRHERHVBPGFMS-UHFFFAOYSA-N
XLogP3.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.34
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'}

Analyze (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-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

(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
CID 163406495
(7-chloro-3-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406697
(2-amino-6-chloro-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406664
(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
(10-hydroxy-2,6-dimethyl-1,4-dihydroanthracen-9-yl) prop-2-enoate
CID 163406678
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(7-chloro-3-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406551
(6-bromo-2-hydroxy-3-methoxyphenyl) prop-2-enoate
CID 175096593
4-methyl-2-prop-2-enoyloxybenzenesulfinate
CID 174505992
(6-chloro-4-methoxycarbonyloxy-2-phenoxynaphthalen-1-yl) prop-2-enoate
CID 163407181
(14-ethyl-10-methoxy-7-methyl-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaenyl) prop-2-enoate
CID 163406435

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate?
The IUPAC name of (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate (CID 163406680) is (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate.
What is the SMILES notation for (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate?
The canonical SMILES for (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate is C=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccc(C)cc12.
What is the InChIKey of (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate?
The InChIKey is FJRHERHVBPGFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-5-16(19)22-14-10-15(21-4)18(23-17(20)6-2)12-8-7-11(3)9-13(12)14/h5-10H,1-2H2,3-4H3.
What are the key properties of (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate?
(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate has a molecular weight of 312.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate is sourced from PubChem (CID 163406680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).