(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate

C16H14O4 — CID 150370008

IUPAC(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(OC(C)=O)ccc2ccccc12
InChIInChI=1S/C16H14O4/c1-10(2)16(18)20-15-13-7-5-4-6-12(13)8-9-14(15)19-11(3)17/h4-9H,1H2,2-3H3
InChIKeyGXNLSCDKBDTGGP-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.25
Rot. Bonds3

About (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate

(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 150370008) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID150370008
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(OC(C)=O)ccc2ccccc12
InChIInChI=1S/C16H14O4/c1-10(2)16(18)20-15-13-7-5-4-6-12(13)8-9-14(15)19-11(3)17/h4-9H,1H2,2-3H3
InChIKeyGXNLSCDKBDTGGP-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.25
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'}

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Related Compounds

[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
[2-(1-cyanoethoxy)naphthalen-1-yl] acetate
CID 67786651

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate (CID 150370008) is (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(OC(C)=O)ccc2ccccc12.
What is the InChIKey of (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is GXNLSCDKBDTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10(2)16(18)20-15-13-7-5-4-6-12(13)8-9-14(15)19-11(3)17/h4-9H,1H2,2-3H3.
What are the key properties of (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate?
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 270.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 150370008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).