2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol

C18H18O2 — CID 87369829

IUPAC2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
SMILESOCCc1ccc(CCO)c2c1ccc1ccccc12
InChIInChI=1S/C18H18O2/c19-11-9-14-5-6-15(10-12-20)18-16-4-2-1-3-13(16)7-8-17(14)18/h1-8,19-20H,9-12H2
InChIKeyMPMLZFCPOFNBOE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol

2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol (PubChem CID 87369829) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
PubChem CID87369829
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
SMILESOCCc1ccc(CCO)c2c1ccc1ccccc12
InChIInChI=1S/C18H18O2/c19-11-9-14-5-6-15(10-12-20)18-16-4-2-1-3-13(16)7-8-17(14)18/h1-8,19-20H,9-12H2
InChIKeyMPMLZFCPOFNBOE-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-5-ylethanol
CID 87369966
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
2-chrysen-1-ylethanol
CID 87369772
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
CID 87369423
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
CID 87369855
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
CID 101270309
2-acenaphthylen-5-ylethanol
CID 154533898
2-naphthalen-1-ylethanol;2-naphthalen-2-ylethanol
CID 22072995
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
3-naphthalen-1-ylpropan-1-ol
CID 14711518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol (CID 87369829) is 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol is OCCc1ccc(CCO)c2c1ccc1ccccc12.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol?
The InChIKey is MPMLZFCPOFNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-11-9-14-5-6-15(10-12-20)18-16-4-2-1-3-13(16)7-8-17(14)18/h1-8,19-20H,9-12H2.
What are the key properties of 2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol?
2-[4-(2-hydroxyethyl)phenanthren-1-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-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol is sourced from PubChem (CID 87369829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).