4-hydroxy-2,4-dimethylnaphthalen-1-one

C12H12O2 — CID 12724464

IUPAC4-hydroxy-2,4-dimethylnaphthalen-1-one
SMILESCC1=CC(C)(O)c2ccccc2C1=O
InChIInChI=1S/C12H12O2/c1-8-7-12(2,14)10-6-4-3-5-9(10)11(8)13/h3-7,14H,1-2H3
InChIKeyPCKTWKVFHRLILZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.04
Rot. Bonds

About 4-hydroxy-2,4-dimethylnaphthalen-1-one

4-hydroxy-2,4-dimethylnaphthalen-1-one (PubChem CID 12724464) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-hydroxy-2,4-dimethylnaphthalen-1-one.

Molecular Properties

Compound Name4-hydroxy-2,4-dimethylnaphthalen-1-one
PubChem CID12724464
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-hydroxy-2,4-dimethylnaphthalen-1-one
SMILESCC1=CC(C)(O)c2ccccc2C1=O
InChIInChI=1S/C12H12O2/c1-8-7-12(2,14)10-6-4-3-5-9(10)11(8)13/h3-7,14H,1-2H3
InChIKeyPCKTWKVFHRLILZ-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydroxy-4-oxonaphthalene-1-sulfonic acid
CID 166013262
5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one
CID 139246405
(2E)-3-hydroxy-2-[1-hydroxy-1-(4-methylphenyl)-3-oxoinden-2-ylidene]-3-(4-methylphenyl)inden-1-one
CID 102399421
1-(1,3-dimethylinden-1-yl)ethanone
CID 12609224
methane;9-methylfluoren-9-ol
CID 160708378
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376
10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
2-methylnaphthalene-1,4-dione
CID 102070817

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,4-dimethylnaphthalen-1-one?
The IUPAC name of 4-hydroxy-2,4-dimethylnaphthalen-1-one (CID 12724464) is 4-hydroxy-2,4-dimethylnaphthalen-1-one.
What is the SMILES notation for 4-hydroxy-2,4-dimethylnaphthalen-1-one?
The canonical SMILES for 4-hydroxy-2,4-dimethylnaphthalen-1-one is CC1=CC(C)(O)c2ccccc2C1=O.
What is the InChIKey of 4-hydroxy-2,4-dimethylnaphthalen-1-one?
The InChIKey is PCKTWKVFHRLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-7-12(2,14)10-6-4-3-5-9(10)11(8)13/h3-7,14H,1-2H3.
What are the key properties of 4-hydroxy-2,4-dimethylnaphthalen-1-one?
4-hydroxy-2,4-dimethylnaphthalen-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,4-dimethylnaphthalen-1-one is sourced from PubChem (CID 12724464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).