5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C18H18O3 — CID 123450059

IUPAC5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(O)cc1COc1cccc2c1CCCC2=O
InChIInChI=1S/C18H18O3/c1-12-8-9-14(19)10-13(12)11-21-18-7-3-4-15-16(18)5-2-6-17(15)20/h3-4,7-10,19H,2,5-6,11H2,1H3
InChIKeyZHYXGGNBVJJUBA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.80
Rot. Bonds3

About 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 123450059) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID123450059
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(O)cc1COc1cccc2c1CCCC2=O
InChIInChI=1S/C18H18O3/c1-12-8-9-14(19)10-13(12)11-21-18-7-3-4-15-16(18)5-2-6-17(15)20/h3-4,7-10,19H,2,5-6,11H2,1H3
InChIKeyZHYXGGNBVJJUBA-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 123450059) is 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc(O)cc1COc1cccc2c1CCCC2=O.
What is the InChIKey of 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZHYXGGNBVJJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-8-9-14(19)10-13(12)11-21-18-7-3-4-15-16(18)5-2-6-17(15)20/h3-4,7-10,19H,2,5-6,11H2,1H3.
What are the key properties of 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 123450059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).