cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C15H18O2 — CID 163681026

IUPACcyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCOC1CCc2cc(C(=O)C3CC3)ccc2C1
InChIInChI=1S/C15H18O2/c1-17-14-7-6-11-8-13(5-4-12(11)9-14)15(16)10-2-3-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyJKVWSIRWDXGOEV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds3

About cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 163681026) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID163681026
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namecyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCOC1CCc2cc(C(=O)C3CC3)ccc2C1
InChIInChI=1S/C15H18O2/c1-17-14-7-6-11-8-13(5-4-12(11)9-14)15(16)10-2-3-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyJKVWSIRWDXGOEV-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 163681026) is cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is COC1CCc2cc(C(=O)C3CC3)ccc2C1.
What is the InChIKey of cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is JKVWSIRWDXGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-17-14-7-6-11-8-13(5-4-12(11)9-14)15(16)10-2-3-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3.
What are the key properties of cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 163681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).