2-methylpropane;naphthalene-1,4-diol

C14H18O2 — CID 144756444

IUPAC2-methylpropane;naphthalene-1,4-diol
SMILESCC(C)C.Oc1ccc(O)c2ccccc12
InChIInChI=1S/C10H8O2.C4H10/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-4(2)3/h1-6,11-12H;4H,1-3H3
InChIKeyCXUGWQDBHYXDFC-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.91
Rot. Bonds

About 2-methylpropane;naphthalene-1,4-diol

2-methylpropane;naphthalene-1,4-diol (PubChem CID 144756444) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methylpropane;naphthalene-1,4-diol.

Molecular Properties

Compound Name2-methylpropane;naphthalene-1,4-diol
PubChem CID144756444
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-methylpropane;naphthalene-1,4-diol
SMILESCC(C)C.Oc1ccc(O)c2ccccc12
InChIInChI=1S/C10H8O2.C4H10/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-4(2)3/h1-6,11-12H;4H,1-3H3
InChIKeyCXUGWQDBHYXDFC-UHFFFAOYSA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;naphthalene-1,4-diol?
The IUPAC name of 2-methylpropane;naphthalene-1,4-diol (CID 144756444) is 2-methylpropane;naphthalene-1,4-diol.
What is the SMILES notation for 2-methylpropane;naphthalene-1,4-diol?
The canonical SMILES for 2-methylpropane;naphthalene-1,4-diol is CC(C)C.Oc1ccc(O)c2ccccc12.
What is the InChIKey of 2-methylpropane;naphthalene-1,4-diol?
The InChIKey is CXUGWQDBHYXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C4H10/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-4(2)3/h1-6,11-12H;4H,1-3H3.
What are the key properties of 2-methylpropane;naphthalene-1,4-diol?
2-methylpropane;naphthalene-1,4-diol has a molecular weight of 218.30 g/mol, XLogP of 3.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;naphthalene-1,4-diol is sourced from PubChem (CID 144756444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).