5-ethenyl-1-methylphenanthrene-2,7-diol

C17H14O2 — CID 5316810

IUPAC5-ethenyl-1-methylphenanthrene-2,7-diol
SMILESC=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12
InChIInChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3
InChIKeyGSSPKCPIRDPBQE-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.36
Rot. Bonds1

About 5-ethenyl-1-methylphenanthrene-2,7-diol

5-ethenyl-1-methylphenanthrene-2,7-diol (PubChem CID 5316810) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-ethenyl-1-methylphenanthrene-2,7-diol.

Molecular Properties

Compound Name5-ethenyl-1-methylphenanthrene-2,7-diol
PubChem CID5316810
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name5-ethenyl-1-methylphenanthrene-2,7-diol
SMILESC=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12
InChIInChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3
InChIKeyGSSPKCPIRDPBQE-UHFFFAOYSA-N
XLogP4.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methylphenanthrene-2,7-diol?
The IUPAC name of 5-ethenyl-1-methylphenanthrene-2,7-diol (CID 5316810) is 5-ethenyl-1-methylphenanthrene-2,7-diol.
What is the SMILES notation for 5-ethenyl-1-methylphenanthrene-2,7-diol?
The canonical SMILES for 5-ethenyl-1-methylphenanthrene-2,7-diol is C=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12.
What is the InChIKey of 5-ethenyl-1-methylphenanthrene-2,7-diol?
The InChIKey is GSSPKCPIRDPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methylphenanthrene-2,7-diol?
5-ethenyl-1-methylphenanthrene-2,7-diol has a molecular weight of 250.30 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methylphenanthrene-2,7-diol is sourced from PubChem (CID 5316810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).