cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone

C17H18O3 — CID 71370661

IUPACcyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2c(O)c1O)C1CCCCC1
InChIInChI=1S/C17H18O3/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(19)17(14)20/h4-5,8-11,19-20H,1-3,6-7H2
InChIKeyARVHCOZNLJOFQD-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.01
Rot. Bonds2

About cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone

cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone (PubChem CID 71370661) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone
PubChem CID71370661
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namecyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2c(O)c1O)C1CCCCC1
InChIInChI=1S/C17H18O3/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(19)17(14)20/h4-5,8-11,19-20H,1-3,6-7H2
InChIKeyARVHCOZNLJOFQD-UHFFFAOYSA-N
XLogP4.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 80602643
cycloheptyl-(2-iodophenyl)methanone
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(4-tert-butylcyclohexyl)-(1-hydroxynaphthalen-2-yl)methanone
CID 44531313
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-phenanthren-9-ylmethanone
CID 171939042
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
cyclohexyl(isoquinolin-8-yl)methanone
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cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone?
The IUPAC name of cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone (CID 71370661) is cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone?
The canonical SMILES for cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone is O=C(c1cc2ccccc2c(O)c1O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone?
The InChIKey is ARVHCOZNLJOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(19)17(14)20/h4-5,8-11,19-20H,1-3,6-7H2.
What are the key properties of cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone?
cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,4-dihydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 71370661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).