2H-1-benzoxocin-7-ol

C11H10O2 — CID 154308442

IUPAC2H-1-benzoxocin-7-ol
SMILESOc1cccc2c1C=CC=CCO2
InChIInChI=1S/C11H10O2/c12-10-6-4-7-11-9(10)5-2-1-3-8-13-11/h1-7,12H,8H2
InChIKeyUZNCXHCDNSQXBO-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.35
Rot. Bonds

About 2H-1-benzoxocin-7-ol

2H-1-benzoxocin-7-ol (PubChem CID 154308442) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2H-1-benzoxocin-7-ol.

Molecular Properties

Compound Name2H-1-benzoxocin-7-ol
PubChem CID154308442
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2H-1-benzoxocin-7-ol
SMILESOc1cccc2c1C=CC=CCO2
InChIInChI=1S/C11H10O2/c12-10-6-4-7-11-9(10)5-2-1-3-8-13-11/h1-7,12H,8H2
InChIKeyUZNCXHCDNSQXBO-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7738
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CID 382975
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CID 76674
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Frequently Asked Questions

What is the IUPAC name of 2H-1-benzoxocin-7-ol?
The IUPAC name of 2H-1-benzoxocin-7-ol (CID 154308442) is 2H-1-benzoxocin-7-ol.
What is the SMILES notation for 2H-1-benzoxocin-7-ol?
The canonical SMILES for 2H-1-benzoxocin-7-ol is Oc1cccc2c1C=CC=CCO2.
What is the InChIKey of 2H-1-benzoxocin-7-ol?
The InChIKey is UZNCXHCDNSQXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-10-6-4-7-11-9(10)5-2-1-3-8-13-11/h1-7,12H,8H2.
What are the key properties of 2H-1-benzoxocin-7-ol?
2H-1-benzoxocin-7-ol has a molecular weight of 174.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzoxocin-7-ol is sourced from PubChem (CID 154308442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).