2-methoxy-6-propylnaphthalene-1,4-diol

C14H16O3 — CID 152759210

IUPAC2-methoxy-6-propylnaphthalene-1,4-diol
SMILESCCCc1ccc2c(O)c(OC)cc(O)c2c1
InChIInChI=1S/C14H16O3/c1-3-4-9-5-6-10-11(7-9)12(15)8-13(17-2)14(10)16/h5-8,15-16H,3-4H2,1-2H3
InChIKeySZZHOJLCHQLCFV-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.21
Rot. Bonds3

About 2-methoxy-6-propylnaphthalene-1,4-diol

2-methoxy-6-propylnaphthalene-1,4-diol (PubChem CID 152759210) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methoxy-6-propylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-6-propylnaphthalene-1,4-diol
PubChem CID152759210
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-methoxy-6-propylnaphthalene-1,4-diol
SMILESCCCc1ccc2c(O)c(OC)cc(O)c2c1
InChIInChI=1S/C14H16O3/c1-3-4-9-5-6-10-11(7-9)12(15)8-13(17-2)14(10)16/h5-8,15-16H,3-4H2,1-2H3
InChIKeySZZHOJLCHQLCFV-UHFFFAOYSA-N
XLogP3.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
1,2,3-trimethoxy-7-propylnaphthalene
CID 150838328
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
4-(1-hydroxypropyl)-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol
CID 50909263
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
3,4-diethoxy-7-ethylnaphthalen-1-ol
CID 19872804
3-methoxy-2-pentyl-5-propylphenol
CID 134929797

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-propylnaphthalene-1,4-diol?
The IUPAC name of 2-methoxy-6-propylnaphthalene-1,4-diol (CID 152759210) is 2-methoxy-6-propylnaphthalene-1,4-diol.
What is the SMILES notation for 2-methoxy-6-propylnaphthalene-1,4-diol?
The canonical SMILES for 2-methoxy-6-propylnaphthalene-1,4-diol is CCCc1ccc2c(O)c(OC)cc(O)c2c1.
What is the InChIKey of 2-methoxy-6-propylnaphthalene-1,4-diol?
The InChIKey is SZZHOJLCHQLCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-4-9-5-6-10-11(7-9)12(15)8-13(17-2)14(10)16/h5-8,15-16H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-6-propylnaphthalene-1,4-diol?
2-methoxy-6-propylnaphthalene-1,4-diol has a molecular weight of 232.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propylnaphthalene-1,4-diol is sourced from PubChem (CID 152759210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).