2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol

C15H18O3 — CID 144980912

IUPAC2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol
SMILESCc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1C
InChIInChI=1S/C15H18O3/c1-7(2)13-10-5-8(3)9(4)14(17)11(10)6-12(16)15(13)18/h5-7,16-18H,1-4H3
InChIKeyJONGWCIPGLMETJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.70
Rot. Bonds1

About 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol

2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol (PubChem CID 144980912) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol
PubChem CID144980912
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol
SMILESCc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1C
InChIInChI=1S/C15H18O3/c1-7(2)13-10-5-8(3)9(4)14(17)11(10)6-12(16)15(13)18/h5-7,16-18H,1-4H3
InChIKeyJONGWCIPGLMETJ-UHFFFAOYSA-N
XLogP3.70
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.70
H-Bond Donors ≤ 53
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

4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841
3-methyl-4-propan-2-ylnaphthalen-1-ol
CID 163727490
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002
7-(5-formyl-3,6,7-trihydroxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
CID 25201041
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
4,6-dichloro-2-methyl-3-propan-2-ylphenol
CID 130033448
9,10-dimethylanthracene-2,3,6,7-tetrol
CID 14292597
6-(2-hydroxy-3,4,5-trimethylphenyl)-2,3,4-trimethylphenol
CID 18674738
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
CID 139946373
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol?
The IUPAC name of 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol (CID 144980912) is 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol?
The canonical SMILES for 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol is Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1C.
What is the InChIKey of 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol?
The InChIKey is JONGWCIPGLMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-7(2)13-10-5-8(3)9(4)14(17)11(10)6-12(16)15(13)18/h5-7,16-18H,1-4H3.
What are the key properties of 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol?
2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol has a molecular weight of 246.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol is sourced from PubChem (CID 144980912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).