methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate

C16H18O3 — CID 82550297

IUPACmethyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C16H18O3/c1-11(2)19-15-9-8-12(10-16(17)18-3)13-6-4-5-7-14(13)15/h4-9,11H,10H2,1-3H3
InChIKeyHLJDPFWQWAENAW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate

methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate (PubChem CID 82550297) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
PubChem CID82550297
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Namemethyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C16H18O3/c1-11(2)19-15-9-8-12(10-16(17)18-3)13-6-4-5-7-14(13)15/h4-9,11H,10H2,1-3H3
InChIKeyHLJDPFWQWAENAW-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550302
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
CID 82553526
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
CID 96709843
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
CID 169273803
3-chloro-1-(4-propan-2-yloxynaphthalen-1-yl)propan-1-one
CID 82263210
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
CID 82575130
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate (CID 82550297) is methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate is COC(=O)Cc1ccc(OC(C)C)c2ccccc12.
What is the InChIKey of methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate?
The InChIKey is HLJDPFWQWAENAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-11(2)19-15-9-8-12(10-16(17)18-3)13-6-4-5-7-14(13)15/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate?
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate has a molecular weight of 258.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate is sourced from PubChem (CID 82550297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).