1-anthracen-2-ylethanol

C16H14O — CID 4143652

IUPAC1-anthracen-2-ylethanol
SMILESCC(O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H14O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11,17H,1H3
InChIKeyYVHJEBTVAVRWIP-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.05
Rot. Bonds1

About 1-anthracen-2-ylethanol

1-anthracen-2-ylethanol (PubChem CID 4143652) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-anthracen-2-ylethanol.

Molecular Properties

Compound Name1-anthracen-2-ylethanol
PubChem CID4143652
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-anthracen-2-ylethanol
SMILESCC(O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H14O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11,17H,1H3
InChIKeyYVHJEBTVAVRWIP-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-2-ylethanol?
The IUPAC name of 1-anthracen-2-ylethanol (CID 4143652) is 1-anthracen-2-ylethanol.
What is the SMILES notation for 1-anthracen-2-ylethanol?
The canonical SMILES for 1-anthracen-2-ylethanol is CC(O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 1-anthracen-2-ylethanol?
The InChIKey is YVHJEBTVAVRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11,17H,1H3.
What are the key properties of 1-anthracen-2-ylethanol?
1-anthracen-2-ylethanol has a molecular weight of 222.29 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-2-ylethanol is sourced from PubChem (CID 4143652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).