(8-methyl-5,6-dihydronaphthalen-2-yl) formate

C12H12O2 — CID 174251681

IUPAC(8-methyl-5,6-dihydronaphthalen-2-yl) formate
SMILESCC1=CCCc2ccc(OC=O)cc21
InChIInChI=1S/C12H12O2/c1-9-3-2-4-10-5-6-11(14-8-13)7-12(9)10/h3,5-8H,2,4H2,1H3
InChIKeyXFNBSXCAQGKNGB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.57
Rot. Bonds2

About (8-methyl-5,6-dihydronaphthalen-2-yl) formate

(8-methyl-5,6-dihydronaphthalen-2-yl) formate (PubChem CID 174251681) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (8-methyl-5,6-dihydronaphthalen-2-yl) formate.

Molecular Properties

Compound Name(8-methyl-5,6-dihydronaphthalen-2-yl) formate
PubChem CID174251681
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(8-methyl-5,6-dihydronaphthalen-2-yl) formate
SMILESCC1=CCCc2ccc(OC=O)cc21
InChIInChI=1S/C12H12O2/c1-9-3-2-4-10-5-6-11(14-8-13)7-12(9)10/h3,5-8H,2,4H2,1H3
InChIKeyXFNBSXCAQGKNGB-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-5,6-dihydronaphthalen-2-yl) formate?
The IUPAC name of (8-methyl-5,6-dihydronaphthalen-2-yl) formate (CID 174251681) is (8-methyl-5,6-dihydronaphthalen-2-yl) formate.
What is the SMILES notation for (8-methyl-5,6-dihydronaphthalen-2-yl) formate?
The canonical SMILES for (8-methyl-5,6-dihydronaphthalen-2-yl) formate is CC1=CCCc2ccc(OC=O)cc21.
What is the InChIKey of (8-methyl-5,6-dihydronaphthalen-2-yl) formate?
The InChIKey is XFNBSXCAQGKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-3-2-4-10-5-6-11(14-8-13)7-12(9)10/h3,5-8H,2,4H2,1H3.
What are the key properties of (8-methyl-5,6-dihydronaphthalen-2-yl) formate?
(8-methyl-5,6-dihydronaphthalen-2-yl) formate has a molecular weight of 188.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-5,6-dihydronaphthalen-2-yl) formate is sourced from PubChem (CID 174251681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).