2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol

C22H20O2 — CID 87369423

IUPAC2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
SMILESOCCc1c(CCO)c2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C22H20O2/c23-13-11-19-17-7-3-4-8-18(17)20-10-9-15-5-1-2-6-16(15)22(20)21(19)12-14-24/h1-10,23-24H,11-14H2
InChIKeyGGPQXXVUSKBGQJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.22
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol

2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol (PubChem CID 87369423) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
PubChem CID87369423
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
SMILESOCCc1c(CCO)c2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C22H20O2/c23-13-11-19-17-7-3-4-8-18(17)20-10-9-15-5-1-2-6-16(15)22(20)21(19)12-14-24/h1-10,23-24H,11-14H2
InChIKeyGGPQXXVUSKBGQJ-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.22
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 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol (CID 87369423) is 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol is OCCc1c(CCO)c2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol?
The InChIKey is GGPQXXVUSKBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c23-13-11-19-17-7-3-4-8-18(17)20-10-9-15-5-1-2-6-16(15)22(20)21(19)12-14-24/h1-10,23-24H,11-14H2.
What are the key properties of 2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol?
2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol has a molecular weight of 316.40 g/mol, XLogP of 4.22, 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)chrysen-6-yl]ethanol is sourced from PubChem (CID 87369423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).