6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

C14H18O2 — CID 121429782

IUPAC6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc2c(cc1C(C)C)C(=O)CCC2
InChIInChI=1S/C14H18O2/c1-9(2)11-8-12-10(7-14(11)16-3)5-4-6-13(12)15/h7-9H,4-6H2,1-3H3
InChIKeyPLFHIOHXVZZOQZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.34
Rot. Bonds2

About 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 121429782) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID121429782
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc2c(cc1C(C)C)C(=O)CCC2
InChIInChI=1S/C14H18O2/c1-9(2)11-8-12-10(7-14(11)16-3)5-4-6-13(12)15/h7-9H,4-6H2,1-3H3
InChIKeyPLFHIOHXVZZOQZ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (CID 121429782) is 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is COc1cc2c(cc1C(C)C)C(=O)CCC2.
What is the InChIKey of 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PLFHIOHXVZZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)11-8-12-10(7-14(11)16-3)5-4-6-13(12)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 218.30 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 6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 121429782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).