6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

C18H18O2 — CID 157206888

IUPAC6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1OCc1ccccc1)CCCC2=O
InChIInChI=1S/C18H18O2/c1-13-10-11-15-16(8-5-9-17(15)19)18(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyARLOBVURKNVHGB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds3

About 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 157206888) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID157206888
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1OCc1ccccc1)CCCC2=O
InChIInChI=1S/C18H18O2/c1-13-10-11-15-16(8-5-9-17(15)19)18(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyARLOBVURKNVHGB-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 157206888) is 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc2c(c1OCc1ccccc1)CCCC2=O.
What is the InChIKey of 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ARLOBVURKNVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-10-11-15-16(8-5-9-17(15)19)18(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 157206888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).