2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol

C16H14Br2O2 — CID 23150364

IUPAC2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol
SMILESCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O
InChIInChI=1S/C16H14Br2O2/c1-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15,2)20/h3-8,19-20H,1-2H3
InChIKeyDODCSEOANUKRNO-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.31
Rot. Bonds

About 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol

2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol (PubChem CID 23150364) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol.

Molecular Properties

Compound Name2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol
PubChem CID23150364
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol
SMILESCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O
InChIInChI=1S/C16H14Br2O2/c1-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15,2)20/h3-8,19-20H,1-2H3
InChIKeyDODCSEOANUKRNO-UHFFFAOYSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-Dimethylphenanthrene-9,10-diol
CID 238779
3,6-Dibromo-9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CID 13659222
1,4-Bis(4-bromophenyl)cyclohexane-1,4-diol
CID 68310601
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
2-Bromo-9,10-bis(4-fluorophenyl)-9,10-dihydro-9,10-anthracenediol
CID 59211150
2,6-Dibromo-9,10-bis(trifluoromethyl)anthracene-9,10-diol
CID 89762506
2-Bromo-9,10-bis(trifluoromethyl)anthracene-9,10-diol
CID 89762512
2-Bromo-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene-9,10-diol
CID 124096089
3,6-Dibromo-9-(2,5-dimethylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
CID 178176785
3,6-Dibromo-9-(2-methylphenyl)-10,10-bis(trifluoromethyl)anthracen-9-ol
CID 178176799
9,10-Anthracenediol, 9,10-bis(4-bromophenyl)-9,10-dihydro-, cis-
CID 632658
2,3-Dibromo-9,10-dimethylanthracene-9,10-diol
CID 13008113

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol?
The IUPAC name of 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol (CID 23150364) is 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol.
What is the SMILES notation for 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol?
The canonical SMILES for 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol is CC1(O)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O.
What is the InChIKey of 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol?
The InChIKey is DODCSEOANUKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15,2)20/h3-8,19-20H,1-2H3.
What are the key properties of 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol?
2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol has a molecular weight of 398.09 g/mol, XLogP of 4.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,10-dimethylphenanthrene-9,10-diol is sourced from PubChem (CID 23150364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).