2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one

C18H14O2 — CID 142475488

IUPAC2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
SMILESCc1ccc(O)c(=O)cc1-c1cccc2ccccc12
InChIInChI=1S/C18H14O2/c1-12-9-10-17(19)18(20)11-16(12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,19,20)
InChIKeyJYOYAMRFWAIBFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.88
Rot. Bonds1

About 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one

2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one (PubChem CID 142475488) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
PubChem CID142475488
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
SMILESCc1ccc(O)c(=O)cc1-c1cccc2ccccc12
InChIInChI=1S/C18H14O2/c1-12-9-10-17(19)18(20)11-16(12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,19,20)
InChIKeyJYOYAMRFWAIBFN-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20798399
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CID 122204114
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
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5-ethyl-2,3-dihydroxy-6-methyl-4-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
CID 166897880
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
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CID 174256313

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one (CID 142475488) is 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one is Cc1ccc(O)c(=O)cc1-c1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one?
The InChIKey is JYOYAMRFWAIBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-12-9-10-17(19)18(20)11-16(12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,19,20).
What are the key properties of 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one?
2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 142475488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).