7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

C10H11ClO2 — CID 64981565

IUPAC7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESOC1CCCOc2ccc(Cl)cc21
InChIInChI=1S/C10H11ClO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9,12H,1-2,5H2
InChIKeyGGCKRXMODOTYAT-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.55
Rot. Bonds

About 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (PubChem CID 64981565) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Molecular Properties

Compound Name7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
PubChem CID64981565
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESOC1CCCOc2ccc(Cl)cc21
InChIInChI=1S/C10H11ClO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9,12H,1-2,5H2
InChIKeyGGCKRXMODOTYAT-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (CID 64981565) is 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
What is the SMILES notation for 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The canonical SMILES for 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is OC1CCCOc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The InChIKey is GGCKRXMODOTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9,12H,1-2,5H2.
What are the key properties of 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol has a molecular weight of 198.65 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is sourced from PubChem (CID 64981565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).