2-(10-bromoanthracen-9-yl)ethanol

C16H13BrO — CID 13291503

IUPAC2-(10-bromoanthracen-9-yl)ethanol
SMILESOCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H13BrO/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8,18H,9-10H2
InChIKeyUKPWLKXDKGCUDD-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.29
Rot. Bonds2

About 2-(10-bromoanthracen-9-yl)ethanol

2-(10-bromoanthracen-9-yl)ethanol (PubChem CID 13291503) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(10-bromoanthracen-9-yl)ethanol.

Molecular Properties

Compound Name2-(10-bromoanthracen-9-yl)ethanol
PubChem CID13291503
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name2-(10-bromoanthracen-9-yl)ethanol
SMILESOCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H13BrO/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8,18H,9-10H2
InChIKeyUKPWLKXDKGCUDD-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.29
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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Related Compounds

(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
9-Anthraceneethanol
CID 281265
7-Bromo-2-naphthalenemethanol
CID 22240133
(4-Bromonaphthalen-2-yl)methanol
CID 59869315
2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
4-Phenanthreneethanol
CID 263268
9-Phenanthreneethanol
CID 349163
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
(1-Bromonaphthalen-2-yl)methanol
CID 13113200
Hydroxyethylanthracene
CID 53950079
1-(1-Bromo-2-naphthyl)ethanol
CID 67247455

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromoanthracen-9-yl)ethanol?
The IUPAC name of 2-(10-bromoanthracen-9-yl)ethanol (CID 13291503) is 2-(10-bromoanthracen-9-yl)ethanol.
What is the SMILES notation for 2-(10-bromoanthracen-9-yl)ethanol?
The canonical SMILES for 2-(10-bromoanthracen-9-yl)ethanol is OCCc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 2-(10-bromoanthracen-9-yl)ethanol?
The InChIKey is UKPWLKXDKGCUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8,18H,9-10H2.
What are the key properties of 2-(10-bromoanthracen-9-yl)ethanol?
2-(10-bromoanthracen-9-yl)ethanol has a molecular weight of 301.18 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromoanthracen-9-yl)ethanol is sourced from PubChem (CID 13291503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).