1,4-dioxane;phenanthren-1-ylmethanol

C19H20O3 — CID 174807196

IUPAC1,4-dioxane;phenanthren-1-ylmethanol
SMILESC1COCCO1.OCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12O.C4H8O2/c16-10-12-5-3-7-15-13-6-2-1-4-11(13)8-9-14(12)15;1-2-6-4-3-5-1/h1-9,16H,10H2;1-4H2
InChIKeyGCZNUVQJAKWIDV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.52
Rot. Bonds1

About 1,4-dioxane;phenanthren-1-ylmethanol

1,4-dioxane;phenanthren-1-ylmethanol (PubChem CID 174807196) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,4-dioxane;phenanthren-1-ylmethanol.

Molecular Properties

Compound Name1,4-dioxane;phenanthren-1-ylmethanol
PubChem CID174807196
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1,4-dioxane;phenanthren-1-ylmethanol
SMILESC1COCCO1.OCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12O.C4H8O2/c16-10-12-5-3-7-15-13-6-2-1-4-11(13)8-9-14(12)15;1-2-6-4-3-5-1/h1-9,16H,10H2;1-4H2
InChIKeyGCZNUVQJAKWIDV-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chrysen-1-ylethanol
CID 87369772
benzo[a]anthracen-8-ylmethanol
CID 25090609
phenanthren-1-ylmethanethiol
CID 57464699
chrysene;iron
CID 157379031
ethene;picene
CID 175286520
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
4-(naphthalen-1-ylmethyl)oxepan-4-ol
CID 65151405
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
CID 141440923
CID 141440923
phenanthrene;pyrene;triphenylene
CID 162115949
1,4-dioxane;pyrene
CID 88726841
phenanthrene;phosphinous acid
CID 174826862

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;phenanthren-1-ylmethanol?
The IUPAC name of 1,4-dioxane;phenanthren-1-ylmethanol (CID 174807196) is 1,4-dioxane;phenanthren-1-ylmethanol.
What is the SMILES notation for 1,4-dioxane;phenanthren-1-ylmethanol?
The canonical SMILES for 1,4-dioxane;phenanthren-1-ylmethanol is C1COCCO1.OCc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1,4-dioxane;phenanthren-1-ylmethanol?
The InChIKey is GCZNUVQJAKWIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C4H8O2/c16-10-12-5-3-7-15-13-6-2-1-4-11(13)8-9-14(12)15;1-2-6-4-3-5-1/h1-9,16H,10H2;1-4H2.
What are the key properties of 1,4-dioxane;phenanthren-1-ylmethanol?
1,4-dioxane;phenanthren-1-ylmethanol has a molecular weight of 296.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;phenanthren-1-ylmethanol is sourced from PubChem (CID 174807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).