1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone

C19H16O2 — CID 155671739

IUPAC1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(O)c(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H16O2/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,20H,12H2,1H3
InChIKeyGVOYPUZSTCTSBK-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone

1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone (PubChem CID 155671739) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
PubChem CID155671739
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(O)c(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H16O2/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,20H,12H2,1H3
InChIKeyGVOYPUZSTCTSBK-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 5228979
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
naphthalen-1-ylmethyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221754
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
2-hydroxy-N-[2-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 61498041
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone (CID 155671739) is 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone is Cc1ccc(O)c(C(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone?
The InChIKey is GVOYPUZSTCTSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,20H,12H2,1H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone?
1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 155671739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).