2-methyl-6-propylbenzene-1,4-diol

C10H14O2 — CID 11708116

IUPAC2-methyl-6-propylbenzene-1,4-diol
SMILESCCCc1cc(O)cc(C)c1O
InChIInChI=1S/C10H14O2/c1-3-4-8-6-9(11)5-7(2)10(8)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyGNRKLZHRDJDSRL-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.36
Rot. Bonds2

About 2-methyl-6-propylbenzene-1,4-diol

2-methyl-6-propylbenzene-1,4-diol (PubChem CID 11708116) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-6-propylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-6-propylbenzene-1,4-diol
PubChem CID11708116
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methyl-6-propylbenzene-1,4-diol
SMILESCCCc1cc(O)cc(C)c1O
InChIInChI=1S/C10H14O2/c1-3-4-8-6-9(11)5-7(2)10(8)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyGNRKLZHRDJDSRL-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
4-ethyl-3-methyl-5-propylphenol
CID 174651080
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol
CID 21390166
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
2-ethyl-4-methyl-6-propylphenol
CID 66879780
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
4-ethyl-2,6-dipropylphenol
CID 66879596
2-butyl-4-(3-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
CID 22325369
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
CID 45093616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propylbenzene-1,4-diol?
The IUPAC name of 2-methyl-6-propylbenzene-1,4-diol (CID 11708116) is 2-methyl-6-propylbenzene-1,4-diol.
What is the SMILES notation for 2-methyl-6-propylbenzene-1,4-diol?
The canonical SMILES for 2-methyl-6-propylbenzene-1,4-diol is CCCc1cc(O)cc(C)c1O.
What is the InChIKey of 2-methyl-6-propylbenzene-1,4-diol?
The InChIKey is GNRKLZHRDJDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-6-9(11)5-7(2)10(8)12/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-propylbenzene-1,4-diol?
2-methyl-6-propylbenzene-1,4-diol has a molecular weight of 166.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propylbenzene-1,4-diol is sourced from PubChem (CID 11708116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).