[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate

C18H20O4 — CID 4011744

IUPAC[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc2ccc(OC(=O)C(C)C)cc2c1
InChIInChI=1S/C18H20O4/c1-11(2)17(19)21-15-7-5-13-6-8-16(10-14(13)9-15)22-18(20)12(3)4/h5-12H,1-4H3
InChIKeyXJYYBVLJQQCUIF-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.96
Rot. Bonds4

About [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate

[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate (PubChem CID 4011744) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
PubChem CID4011744
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc2ccc(OC(=O)C(C)C)cc2c1
InChIInChI=1S/C18H20O4/c1-11(2)17(19)21-15-7-5-13-6-8-16(10-14(13)9-15)22-18(20)12(3)4/h5-12H,1-4H3
InChIKeyXJYYBVLJQQCUIF-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
(7,8-dimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl) 2-methylpropanoate
CID 89373330
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
(3-bromo-4-fluorophenyl) 2-methylpropanoate
CID 14985061
[3,5-bis[[4-(2-methylpropanoyloxy)benzoyl]oxy]phenyl] 4-(2-methylpropanoyloxy)benzoate
CID 118041943
(3-phenoxyphenyl) 2-methylpropanoate
CID 175210389

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate?
The IUPAC name of [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate (CID 4011744) is [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate.
What is the SMILES notation for [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate?
The canonical SMILES for [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate is CC(C)C(=O)Oc1ccc2ccc(OC(=O)C(C)C)cc2c1.
What is the InChIKey of [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate?
The InChIKey is XJYYBVLJQQCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-11(2)17(19)21-15-7-5-13-6-8-16(10-14(13)9-15)22-18(20)12(3)4/h5-12H,1-4H3.
What are the key properties of [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate?
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate has a molecular weight of 300.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate is sourced from PubChem (CID 4011744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).