1H-cyclopenta[b]naphthalen-3-ylmethyl acetate

C16H14O2 — CID 143729639

IUPAC1H-cyclopenta[b]naphthalen-3-ylmethyl acetate
SMILESCC(=O)OCC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C16H14O2/c1-11(17)18-10-15-7-6-14-8-12-4-2-3-5-13(12)9-16(14)15/h2-5,7-9H,6,10H2,1H3
InChIKeyRKZBNGYHPBYNBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.34
Rot. Bonds2

About 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate

1H-cyclopenta[b]naphthalen-3-ylmethyl acetate (PubChem CID 143729639) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate.

Molecular Properties

Compound Name1H-cyclopenta[b]naphthalen-3-ylmethyl acetate
PubChem CID143729639
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1H-cyclopenta[b]naphthalen-3-ylmethyl acetate
SMILESCC(=O)OCC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C16H14O2/c1-11(17)18-10-15-7-6-14-8-12-4-2-3-5-13(12)9-16(14)15/h2-5,7-9H,6,10H2,1H3
InChIKeyRKZBNGYHPBYNBX-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate?
The IUPAC name of 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate (CID 143729639) is 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate.
What is the SMILES notation for 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate?
The canonical SMILES for 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate is CC(=O)OCC1=CCc2cc3ccccc3cc21.
What is the InChIKey of 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate?
The InChIKey is RKZBNGYHPBYNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11(17)18-10-15-7-6-14-8-12-4-2-3-5-13(12)9-16(14)15/h2-5,7-9H,6,10H2,1H3.
What are the key properties of 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate?
1H-cyclopenta[b]naphthalen-3-ylmethyl acetate has a molecular weight of 238.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[b]naphthalen-3-ylmethyl acetate is sourced from PubChem (CID 143729639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).