3-bromoanthracen-9-ol

C14H9BrO — CID 23035853

IUPAC3-bromoanthracen-9-ol
SMILESOc1c2ccccc2cc2cc(Br)ccc12
InChIInChI=1S/C14H9BrO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14(13)16/h1-8,16H
InChIKeyIADCIQQQCSNKFH-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.46
Rot. Bonds

About 3-bromoanthracen-9-ol

3-bromoanthracen-9-ol (PubChem CID 23035853) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromoanthracen-9-ol.

Molecular Properties

Compound Name3-bromoanthracen-9-ol
PubChem CID23035853
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name3-bromoanthracen-9-ol
SMILESOc1c2ccccc2cc2cc(Br)ccc12
InChIInChI=1S/C14H9BrO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14(13)16/h1-8,16H
InChIKeyIADCIQQQCSNKFH-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.46
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

anthracene-1,2,10-triol
CID 11342
3-nitroanthracen-9-ol
CID 22457424
1-bromoanthracen-9-ol;methane
CID 21197331
(2-bromoanthracen-9-yl)methanol
CID 87382861
2-bromonaphthalene
CID 50940586
3,6-dibromobenzo[b]triphenylene
CID 155269401
2-bromonaphthalene;phenol
CID 174920874
3-bromo-7,12-dideuteriobenzo[a]anthracene
CID 59412531
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
2-bromobenzo[a]anthracen-1-ol
CID 88522900
3-bromo-4-hydroxynaphthalene-2-carbaldehyde
CID 141051977
1-bromo-3-tert-butylnaphthalen-2-ol
CID 164578016

Frequently Asked Questions

What is the IUPAC name of 3-bromoanthracen-9-ol?
The IUPAC name of 3-bromoanthracen-9-ol (CID 23035853) is 3-bromoanthracen-9-ol.
What is the SMILES notation for 3-bromoanthracen-9-ol?
The canonical SMILES for 3-bromoanthracen-9-ol is Oc1c2ccccc2cc2cc(Br)ccc12.
What is the InChIKey of 3-bromoanthracen-9-ol?
The InChIKey is IADCIQQQCSNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14(13)16/h1-8,16H.
What are the key properties of 3-bromoanthracen-9-ol?
3-bromoanthracen-9-ol has a molecular weight of 273.13 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoanthracen-9-ol is sourced from PubChem (CID 23035853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).