2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol

C16H14Br2O — CID 58963568

IUPAC2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1O
InChIInChI=1S/C16H14Br2O/c1-16(2)14-8-10(18)4-6-12(14)11-5-3-9(17)7-13(11)15(16)19/h3-8,15,19H,1-2H3
InChIKeyCBUAMAYUPKHYEM-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.20
Rot. Bonds

About 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol

2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol (PubChem CID 58963568) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol
PubChem CID58963568
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1O
InChIInChI=1S/C16H14Br2O/c1-16(2)14-8-10(18)4-6-12(14)11-5-3-9(17)7-13(11)15(16)19/h3-8,15,19H,1-2H3
InChIKeyCBUAMAYUPKHYEM-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol?
The IUPAC name of 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol (CID 58963568) is 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol.
What is the SMILES notation for 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol?
The canonical SMILES for 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol is CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1O.
What is the InChIKey of 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol?
The InChIKey is CBUAMAYUPKHYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-16(2)14-8-10(18)4-6-12(14)11-5-3-9(17)7-13(11)15(16)19/h3-8,15,19H,1-2H3.
What are the key properties of 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol?
2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol has a molecular weight of 382.10 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-10,10-dimethyl-9H-phenanthren-9-ol is sourced from PubChem (CID 58963568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).