6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol

C16H20O2 — CID 72945348

IUPAC6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol
SMILESCC(C)=CCC1C(C)=CCc2c(O)ccc(O)c21
InChIInChI=1S/C16H20O2/c1-10(2)4-6-12-11(3)5-7-13-14(17)8-9-15(18)16(12)13/h4-5,8-9,12,17-18H,6-7H2,1-3H3
InChIKeyDNRTVBBBBIIOHX-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.04
Rot. Bonds2

About 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol

6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol (PubChem CID 72945348) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol.

Molecular Properties

Compound Name6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol
PubChem CID72945348
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol
SMILESCC(C)=CCC1C(C)=CCc2c(O)ccc(O)c21
InChIInChI=1S/C16H20O2/c1-10(2)4-6-12-11(3)5-7-13-14(17)8-9-15(18)16(12)13/h4-5,8-9,12,17-18H,6-7H2,1-3H3
InChIKeyDNRTVBBBBIIOHX-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol?
The IUPAC name of 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol (CID 72945348) is 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol.
What is the SMILES notation for 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol?
The canonical SMILES for 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol is CC(C)=CCC1C(C)=CCc2c(O)ccc(O)c21.
What is the InChIKey of 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol?
The InChIKey is DNRTVBBBBIIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)4-6-12-11(3)5-7-13-14(17)8-9-15(18)16(12)13/h4-5,8-9,12,17-18H,6-7H2,1-3H3.
What are the key properties of 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol?
6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol has a molecular weight of 244.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol is sourced from PubChem (CID 72945348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).