4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

C15H14O2 — CID 139748942

IUPAC4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESCc1cccc2c1OCc1ccccc1C2O
InChIInChI=1S/C15H14O2/c1-10-5-4-8-13-14(16)12-7-3-2-6-11(12)9-17-15(10)13/h2-8,14,16H,9H2,1H3
InChIKeyHNNXMXSFCOBZPF-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.97
Rot. Bonds

About 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (PubChem CID 139748942) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
PubChem CID139748942
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
SMILESCc1cccc2c1OCc1ccccc1C2O
InChIInChI=1S/C15H14O2/c1-10-5-4-8-13-14(16)12-7-3-2-6-11(12)9-17-15(10)13/h2-8,14,16H,9H2,1H3
InChIKeyHNNXMXSFCOBZPF-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The IUPAC name of 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol (CID 139748942) is 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is Cc1cccc2c1OCc1ccccc1C2O.
What is the InChIKey of 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
The InChIKey is HNNXMXSFCOBZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-5-4-8-13-14(16)12-7-3-2-6-11(12)9-17-15(10)13/h2-8,14,16H,9H2,1H3.
What are the key properties of 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol?
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol has a molecular weight of 226.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 139748942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).