6-methoxy-6,7-dihydro-5H-benzo[7]annulene

C12H14O — CID 121011407

IUPAC6-methoxy-6,7-dihydro-5H-benzo[7]annulene
SMILESCOC1CC=Cc2ccccc2C1
InChIInChI=1S/C12H14O/c1-13-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7,12H,8-9H2,1H3
InChIKeyKNHPPRTXGKEOHU-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.66
Rot. Bonds1

About 6-methoxy-6,7-dihydro-5H-benzo[7]annulene

6-methoxy-6,7-dihydro-5H-benzo[7]annulene (PubChem CID 121011407) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methoxy-6,7-dihydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name6-methoxy-6,7-dihydro-5H-benzo[7]annulene
PubChem CID121011407
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-methoxy-6,7-dihydro-5H-benzo[7]annulene
SMILESCOC1CC=Cc2ccccc2C1
InChIInChI=1S/C12H14O/c1-13-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7,12H,8-9H2,1H3
InChIKeyKNHPPRTXGKEOHU-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6,7-dihydro-5H-benzo[7]annulene?
The IUPAC name of 6-methoxy-6,7-dihydro-5H-benzo[7]annulene (CID 121011407) is 6-methoxy-6,7-dihydro-5H-benzo[7]annulene.
What is the SMILES notation for 6-methoxy-6,7-dihydro-5H-benzo[7]annulene?
The canonical SMILES for 6-methoxy-6,7-dihydro-5H-benzo[7]annulene is COC1CC=Cc2ccccc2C1.
What is the InChIKey of 6-methoxy-6,7-dihydro-5H-benzo[7]annulene?
The InChIKey is KNHPPRTXGKEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-13-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-7,12H,8-9H2,1H3.
What are the key properties of 6-methoxy-6,7-dihydro-5H-benzo[7]annulene?
6-methoxy-6,7-dihydro-5H-benzo[7]annulene has a molecular weight of 174.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6,7-dihydro-5H-benzo[7]annulene is sourced from PubChem (CID 121011407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).