3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol

C15H16O4 — CID 90734745

IUPAC3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol
SMILESC=c1c(OC)c(O)c2cc(O)cc(=C(C)C)c2c1O
InChIInChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-6,16-18H,3H2,1-2,4H3
InChIKeyOHVMMMYHLWJDNT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.57
Rot. Bonds1

About 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol

3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol (PubChem CID 90734745) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol.

Molecular Properties

Compound Name3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol
PubChem CID90734745
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol
SMILESC=c1c(OC)c(O)c2cc(O)cc(=C(C)C)c2c1O
InChIInChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-6,16-18H,3H2,1-2,4H3
InChIKeyOHVMMMYHLWJDNT-UHFFFAOYSA-N
XLogP1.57
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol?
The IUPAC name of 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol (CID 90734745) is 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol.
What is the SMILES notation for 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol?
The canonical SMILES for 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol is C=c1c(OC)c(O)c2cc(O)cc(=C(C)C)c2c1O.
What is the InChIKey of 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol?
The InChIKey is OHVMMMYHLWJDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-6,16-18H,3H2,1-2,4H3.
What are the key properties of 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol?
3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol has a molecular weight of 260.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylidene-8-propan-2-ylidenenaphthalene-1,4,6-triol is sourced from PubChem (CID 90734745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).