2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol

C18H24O3 — CID 19886813

IUPAC2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol
SMILESCCCCCCc1c(OC)c(O)c2cc(C)ccc2c1O
InChIInChI=1S/C18H24O3/c1-4-5-6-7-8-14-16(19)13-10-9-12(2)11-15(13)17(20)18(14)21-3/h9-11,19-20H,4-8H2,1-3H3
InChIKeyNXHFFYGNBFLUPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.69
Rot. Bonds6

About 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol

2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol (PubChem CID 19886813) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol
PubChem CID19886813
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol
SMILESCCCCCCc1c(OC)c(O)c2cc(C)ccc2c1O
InChIInChI=1S/C18H24O3/c1-4-5-6-7-8-14-16(19)13-10-9-12(2)11-15(13)17(20)18(14)21-3/h9-11,19-20H,4-8H2,1-3H3
InChIKeyNXHFFYGNBFLUPK-UHFFFAOYSA-N
XLogP4.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-dodecylnaphthalene-1,2,4-triol
CID 14672775
9,10-diheptoxy-2,6-dimethylanthracene
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3,4,5-tri(nonoxy)-6-pentylbenzene-1,2-diol
CID 154435391
3,4,5-triheptoxy-6-hexylbenzene-1,2-diol
CID 154435459
2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
2,3-dihexylbenzene-1,4-diol
CID 69329716
5-methyl-3-undecyl-2-benzothiophene-1-carboxylic acid
CID 69130078
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
2-[1-(2-dodecyl-4-hydroxy-3,5-dimethoxyphenyl)tridecylidene]propanedioic acid
CID 87887139
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
1-heptyl-3-methylnaphthalen-2-ol
CID 135074977

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol?
The IUPAC name of 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol (CID 19886813) is 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol?
The canonical SMILES for 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol is CCCCCCc1c(OC)c(O)c2cc(C)ccc2c1O.
What is the InChIKey of 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol?
The InChIKey is NXHFFYGNBFLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-4-5-6-7-8-14-16(19)13-10-9-12(2)11-15(13)17(20)18(14)21-3/h9-11,19-20H,4-8H2,1-3H3.
What are the key properties of 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol?
2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol has a molecular weight of 288.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-methoxy-6-methylnaphthalene-1,4-diol is sourced from PubChem (CID 19886813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).