(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate

C13H14O2 — CID 100962209

IUPAC(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESC=C1c2ccccc2CCC1OC(C)=O
InChIInChI=1S/C13H14O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15-10(2)14/h3-6,13H,1,7-8H2,2H3
InChIKeyPHQJIBGHYLJLNE-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.58
Rot. Bonds1

About (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate

(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate (PubChem CID 100962209) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate.

Molecular Properties

Compound Name(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
PubChem CID100962209
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESC=C1c2ccccc2CCC1OC(C)=O
InChIInChI=1S/C13H14O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15-10(2)14/h3-6,13H,1,7-8H2,2H3
InChIKeyPHQJIBGHYLJLNE-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The IUPAC name of (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate (CID 100962209) is (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate.
What is the SMILES notation for (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The canonical SMILES for (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate is C=C1c2ccccc2CCC1OC(C)=O.
What is the InChIKey of (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The InChIKey is PHQJIBGHYLJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15-10(2)14/h3-6,13H,1,7-8H2,2H3.
What are the key properties of (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate?
(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate has a molecular weight of 202.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate is sourced from PubChem (CID 100962209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).