methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate

C17H18O3 — CID 10635746

IUPACmethyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-12(2)20-16-10-8-13-6-4-5-7-14(13)15(16)9-11-17(18)19-3/h4-12H,1-3H3/b11-9+
InChIKeyQJTCPBHZCPFLLV-PKNBQFBNSA-N
MW270.33 g/mol
LogP3.81
Rot. Bonds4

About methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate

methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate (PubChem CID 10635746) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
PubChem CID10635746
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-12(2)20-16-10-8-13-6-4-5-7-14(13)15(16)9-11-17(18)19-3/h4-12H,1-3H3/b11-9+
InChIKeyQJTCPBHZCPFLLV-PKNBQFBNSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene
CID 898089
(E)-3-(2-pentan-2-yloxynaphthalen-1-yl)prop-2-enoic acid
CID 107890419
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
CID 958381
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
methyl (E)-3-[2,3-diamino-4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]prop-2-enoate
CID 102374374
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate (CID 10635746) is methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate is COC(=O)/C=C/c1c(OC(C)C)ccc2ccccc12.
What is the InChIKey of methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate?
The InChIKey is QJTCPBHZCPFLLV-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)20-16-10-8-13-6-4-5-7-14(13)15(16)9-11-17(18)19-3/h4-12H,1-3H3/b11-9+.
What are the key properties of methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate?
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate has a molecular weight of 270.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 10635746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).