2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol

C18H18O2 — CID 87369855

IUPAC2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
SMILESOCCc1cccc2ccc3cccc(CCO)c3c12
InChIInChI=1S/C18H18O2/c19-11-9-15-5-1-3-13-7-8-14-4-2-6-16(10-12-20)18(14)17(13)15/h1-8,19-20H,9-12H2
InChIKeyJJNATJPTKBFKMV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol

2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol (PubChem CID 87369855) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
PubChem CID87369855
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
SMILESOCCc1cccc2ccc3cccc(CCO)c3c12
InChIInChI=1S/C18H18O2/c19-11-9-15-5-1-3-13-7-8-14-4-2-6-16(10-12-20)18(14)17(13)15/h1-8,19-20H,9-12H2
InChIKeyJJNATJPTKBFKMV-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
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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Related Compounds

2-chrysen-1-ylethanol
CID 87369772
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
CID 87369829
2-(1H-indol-7-yl)ethanol
CID 22556873
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
2-naphthalen-1-ylethanol;2-naphthalen-2-ylethanol
CID 22072995
ethane-1,2-diol;perylene
CID 87614452
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
CID 23064642
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
2-chrysen-5-ylethanol
CID 87369966

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol (CID 87369855) is 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol is OCCc1cccc2ccc3cccc(CCO)c3c12.
What is the InChIKey of 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol?
The InChIKey is JJNATJPTKBFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-11-9-15-5-1-3-13-7-8-14-4-2-6-16(10-12-20)18(14)17(13)15/h1-8,19-20H,9-12H2.
What are the key properties of 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol?
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol is sourced from PubChem (CID 87369855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).