2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol

C21H18O3 — CID 141277046

IUPAC2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(C2C=Cc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O3/c22-13-14-23-18-10-7-16(8-11-18)20-12-9-17-6-5-15-3-1-2-4-19(15)21(17)24-20/h1-12,20,22H,13-14H2
InChIKeyHPHFSENYRFWCLY-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.36
Rot. Bonds4

About 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol

2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol (PubChem CID 141277046) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol
PubChem CID141277046
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol
SMILESOCCOc1ccc(C2C=Cc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O3/c22-13-14-23-18-10-7-16(8-11-18)20-12-9-17-6-5-15-3-1-2-4-19(15)21(17)24-20/h1-12,20,22H,13-14H2
InChIKeyHPHFSENYRFWCLY-UHFFFAOYSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol (CID 141277046) is 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol is OCCOc1ccc(C2C=Cc3ccc4ccccc4c3O2)cc1.
What is the InChIKey of 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol?
The InChIKey is HPHFSENYRFWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-13-14-23-18-10-7-16(8-11-18)20-12-9-17-6-5-15-3-1-2-4-19(15)21(17)24-20/h1-12,20,22H,13-14H2.
What are the key properties of 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol?
2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol has a molecular weight of 318.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-benzo[h]chromen-2-yl)phenoxy]ethanol is sourced from PubChem (CID 141277046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).