2,7-dimethylbiphenylene-1,8-diol

C14H12O2 — CID 10976766

IUPAC2,7-dimethylbiphenylene-1,8-diol
SMILESCc1ccc2c(c1O)=c1c(O)c(C)ccc1=2
InChIInChI=1S/C14H12O2/c1-7-3-5-9-10-6-4-8(2)14(16)12(10)11(9)13(7)15/h3-6,15-16H,1-2H3
InChIKeyTXVUFKVJTAQQFP-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.60
Rot. Bonds

About 2,7-dimethylbiphenylene-1,8-diol

2,7-dimethylbiphenylene-1,8-diol (PubChem CID 10976766) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,7-dimethylbiphenylene-1,8-diol.

Molecular Properties

Compound Name2,7-dimethylbiphenylene-1,8-diol
PubChem CID10976766
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2,7-dimethylbiphenylene-1,8-diol
SMILESCc1ccc2c(c1O)=c1c(O)c(C)ccc1=2
InChIInChI=1S/C14H12O2/c1-7-3-5-9-10-6-4-8(2)14(16)12(10)11(9)13(7)15/h3-6,15-16H,1-2H3
InChIKeyTXVUFKVJTAQQFP-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylbiphenylene-1,8-diol?
The IUPAC name of 2,7-dimethylbiphenylene-1,8-diol (CID 10976766) is 2,7-dimethylbiphenylene-1,8-diol.
What is the SMILES notation for 2,7-dimethylbiphenylene-1,8-diol?
The canonical SMILES for 2,7-dimethylbiphenylene-1,8-diol is Cc1ccc2c(c1O)=c1c(O)c(C)ccc1=2.
What is the InChIKey of 2,7-dimethylbiphenylene-1,8-diol?
The InChIKey is TXVUFKVJTAQQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-7-3-5-9-10-6-4-8(2)14(16)12(10)11(9)13(7)15/h3-6,15-16H,1-2H3.
What are the key properties of 2,7-dimethylbiphenylene-1,8-diol?
2,7-dimethylbiphenylene-1,8-diol has a molecular weight of 212.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylbiphenylene-1,8-diol is sourced from PubChem (CID 10976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).