2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene

C13H16O — CID 13275751

IUPAC2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1ccc2c(c1)CCCC=C2C
InChIInChI=1S/C13H16O/c1-10-5-3-4-6-11-9-12(14-2)7-8-13(10)11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMIGKBZWYGJKIDL-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.43
Rot. Bonds1

About 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene

2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 13275751) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
PubChem CID13275751
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1ccc2c(c1)CCCC=C2C
InChIInChI=1S/C13H16O/c1-10-5-3-4-6-11-9-12(14-2)7-8-13(10)11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMIGKBZWYGJKIDL-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
6-(4-methoxyphenyl)-3-methyl-1H-indene
CID 10955553
2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene
CID 68731270
5-tert-butyl-13-methoxy-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 59295630
ethyl 5-(2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-1H-indole-2-carboxylate
CID 177232598
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
CID 14175471

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene (CID 13275751) is 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene is COc1ccc2c(c1)CCCC=C2C.
What is the InChIKey of 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is MIGKBZWYGJKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-5-3-4-6-11-9-12(14-2)7-8-13(10)11/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene?
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 188.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 13275751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).