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

C14H10Br2O2 — CID 23150361

IUPAC2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol
SMILESOC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O
InChIInChI=1S/C14H10Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6,13-14,17-18H
InChIKeyGKULNBVMWMYADK-UHFFFAOYSA-N
MW370.04 g/mol
LogP3.96
Rot. Bonds

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

2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol (PubChem CID 23150361) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol.

Molecular Properties

Compound Name2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol
PubChem CID23150361
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol
SMILESOC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O
InChIInChI=1S/C14H10Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6,13-14,17-18H
InChIKeyGKULNBVMWMYADK-UHFFFAOYSA-N
XLogP3.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-Dihydro-9,10-phenanthrenediol
CID 99889
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
trans-9,10-Dihydroxy-9,10-dihydrophenanthrene
CID 114767
(9R,10R)-9,10-dihydrophenanthrene-9,10-diol
CID 179441
cis-9,10-Dihydrophenanthrene-9,10-diol
CID 818822
7-Bromo-2-naphthalenemethanol
CID 22240133
1,2-Bis(4-bromophenyl)ethane-1,2-diol
CID 301194
1,2-Bis(3-bromophenyl)ethane-1,2-diol
CID 11003220
[4-Bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
CID 11278213
(1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 25068462
cis-1,2-Dihydro-(1r,2s)-dihydroxy-7-bromonaphthalene
CID 101687586
4,4'-Dibromo-2,2'-bis-hydroxymethyl-biphenyl
CID 11372175

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol?
The IUPAC name of 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol (CID 23150361) is 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol.
What is the SMILES notation for 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol?
The canonical SMILES for 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol is OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O.
What is the InChIKey of 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol?
The InChIKey is GKULNBVMWMYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6,13-14,17-18H.
What are the key properties of 2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol?
2,7-dibromo-9,10-dihydrophenanthrene-9,10-diol has a molecular weight of 370.04 g/mol, XLogP of 3.96, 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-dihydrophenanthrene-9,10-diol is sourced from PubChem (CID 23150361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).