(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone

C17H18O2 — CID 81330300

IUPAC(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCC(C)O2)c2ccccc12
InChIInChI=1S/C17H18O2/c1-11-7-9-15(14-6-4-3-5-13(11)14)17(18)16-10-8-12(2)19-16/h3-7,9,12,16H,8,10H2,1-2H3
InChIKeyOUENNXAVTRLPDT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.90
Rot. Bonds2

About (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone

(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 81330300) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID81330300
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCC(C)O2)c2ccccc12
InChIInChI=1S/C17H18O2/c1-11-7-9-15(14-6-4-3-5-13(11)14)17(18)16-10-8-12(2)19-16/h3-7,9,12,16H,8,10H2,1-2H3
InChIKeyOUENNXAVTRLPDT-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone (CID 81330300) is (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone is Cc1ccc(C(=O)C2CCC(C)O2)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is OUENNXAVTRLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-7-9-15(14-6-4-3-5-13(11)14)17(18)16-10-8-12(2)19-16/h3-7,9,12,16H,8,10H2,1-2H3.
What are the key properties of (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone?
(4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).