(6-methylnaphthalen-1-yl)methyl acetate

C14H14O2 — CID 13499502

IUPAC(6-methylnaphthalen-1-yl)methyl acetate
SMILESCC(=O)OCc1cccc2cc(C)ccc12
InChIInChI=1S/C14H14O2/c1-10-6-7-14-12(8-10)4-3-5-13(14)9-16-11(2)15/h3-8H,9H2,1-2H3
InChIKeyRZZHWGBTGNUTEQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.21
Rot. Bonds2

About (6-methylnaphthalen-1-yl)methyl acetate

(6-methylnaphthalen-1-yl)methyl acetate (PubChem CID 13499502) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (6-methylnaphthalen-1-yl)methyl acetate.

Molecular Properties

Compound Name(6-methylnaphthalen-1-yl)methyl acetate
PubChem CID13499502
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(6-methylnaphthalen-1-yl)methyl acetate
SMILESCC(=O)OCc1cccc2cc(C)ccc12
InChIInChI=1S/C14H14O2/c1-10-6-7-14-12(8-10)4-3-5-13(14)9-16-11(2)15/h3-8H,9H2,1-2H3
InChIKeyRZZHWGBTGNUTEQ-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
[3-(acetyloxymethyl)-2-[2-(4-methylphenoxy)ethoxy]phenyl]methyl acetate
CID 118047643
(6-methylnaphthalen-1-yl) acetate
CID 14143439
(6-methylnaphthalen-1-yl)methanesulfonic acid
CID 142857343
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
naphthalen-1-ylmethyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221754
anthracen-9-ylmethyl acetate
CID 27876
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2-sulfanylphenyl)methyl acetate
CID 118370744
naphthalen-1-ylmethyl propanoate
CID 13262702

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-1-yl)methyl acetate?
The IUPAC name of (6-methylnaphthalen-1-yl)methyl acetate (CID 13499502) is (6-methylnaphthalen-1-yl)methyl acetate.
What is the SMILES notation for (6-methylnaphthalen-1-yl)methyl acetate?
The canonical SMILES for (6-methylnaphthalen-1-yl)methyl acetate is CC(=O)OCc1cccc2cc(C)ccc12.
What is the InChIKey of (6-methylnaphthalen-1-yl)methyl acetate?
The InChIKey is RZZHWGBTGNUTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-6-7-14-12(8-10)4-3-5-13(14)9-16-11(2)15/h3-8H,9H2,1-2H3.
What are the key properties of (6-methylnaphthalen-1-yl)methyl acetate?
(6-methylnaphthalen-1-yl)methyl acetate has a molecular weight of 214.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-1-yl)methyl acetate is sourced from PubChem (CID 13499502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).