7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one

C17H20O4 — CID 54704163

IUPAC7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one
SMILESCc1c(OCC2CCCCC2)ccc2c(O)cc(=O)oc12
InChIInChI=1S/C17H20O4/c1-11-15(20-10-12-5-3-2-4-6-12)8-7-13-14(18)9-16(19)21-17(11)13/h7-9,12,18H,2-6,10H2,1H3
InChIKeyOYEPHPWONGQTKV-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.77
Rot. Bonds3

About 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one

7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one (PubChem CID 54704163) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one.

Molecular Properties

Compound Name7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one
PubChem CID54704163
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one
SMILESCc1c(OCC2CCCCC2)ccc2c(O)cc(=O)oc12
InChIInChI=1S/C17H20O4/c1-11-15(20-10-12-5-3-2-4-6-12)8-7-13-14(18)9-16(19)21-17(11)13/h7-9,12,18H,2-6,10H2,1H3
InChIKeyOYEPHPWONGQTKV-UHFFFAOYSA-N
XLogP3.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-8-methyl-7-[(1-methylpiperidin-3-yl)methoxy]chromen-2-one
CID 54718831
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
CID 54711766
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-cyclohexylbutanoate
CID 18287365
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
4-[[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one
CID 55864539
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972
5-(cyclohexylmethoxy)-4-methylbenzene-1,3-diol
CID 175419611
4-ethyl-8-methyl-7-[(1S)-2-oxocyclohexyl]oxychromen-2-one
CID 770819
7-[[(3aR,6S,7R,7aR)-6-ethyl-6,7-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-hydroxy-8-methylchromen-2-one
CID 59071269
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563832
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563829

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one?
The IUPAC name of 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one (CID 54704163) is 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one.
What is the SMILES notation for 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one?
The canonical SMILES for 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one is Cc1c(OCC2CCCCC2)ccc2c(O)cc(=O)oc12.
What is the InChIKey of 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one?
The InChIKey is OYEPHPWONGQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-11-15(20-10-12-5-3-2-4-6-12)8-7-13-14(18)9-16(19)21-17(11)13/h7-9,12,18H,2-6,10H2,1H3.
What are the key properties of 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one?
7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one has a molecular weight of 288.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one is sourced from PubChem (CID 54704163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).