5-ethenyl-4-methylphenanthren-1-ol

C17H14O — CID 134322524

IUPAC5-ethenyl-4-methylphenanthren-1-ol
SMILESC=Cc1cccc2ccc3c(O)ccc(C)c3c12
InChIInChI=1S/C17H14O/c1-3-12-5-4-6-13-8-9-14-15(18)10-7-11(2)16(14)17(12)13/h3-10,18H,1H2,2H3
InChIKeyWOUAWVOXKFPJLL-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.65
Rot. Bonds1

About 5-ethenyl-4-methylphenanthren-1-ol

5-ethenyl-4-methylphenanthren-1-ol (PubChem CID 134322524) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-ethenyl-4-methylphenanthren-1-ol.

Molecular Properties

Compound Name5-ethenyl-4-methylphenanthren-1-ol
PubChem CID134322524
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name5-ethenyl-4-methylphenanthren-1-ol
SMILESC=Cc1cccc2ccc3c(O)ccc(C)c3c12
InChIInChI=1S/C17H14O/c1-3-12-5-4-6-13-8-9-14-15(18)10-7-11(2)16(14)17(12)13/h3-10,18H,1H2,2H3
InChIKeyWOUAWVOXKFPJLL-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-4-methylphenanthren-1-ol?
The IUPAC name of 5-ethenyl-4-methylphenanthren-1-ol (CID 134322524) is 5-ethenyl-4-methylphenanthren-1-ol.
What is the SMILES notation for 5-ethenyl-4-methylphenanthren-1-ol?
The canonical SMILES for 5-ethenyl-4-methylphenanthren-1-ol is C=Cc1cccc2ccc3c(O)ccc(C)c3c12.
What is the InChIKey of 5-ethenyl-4-methylphenanthren-1-ol?
The InChIKey is WOUAWVOXKFPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-3-12-5-4-6-13-8-9-14-15(18)10-7-11(2)16(14)17(12)13/h3-10,18H,1H2,2H3.
What are the key properties of 5-ethenyl-4-methylphenanthren-1-ol?
5-ethenyl-4-methylphenanthren-1-ol has a molecular weight of 234.30 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methylphenanthren-1-ol is sourced from PubChem (CID 134322524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).