2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene

C13H16O2 — CID 143787705

IUPAC2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
SMILESCOC1=Cc2ccc(OC)cc2CCC1
InChIInChI=1S/C13H16O2/c1-14-12-5-3-4-10-8-13(15-2)7-6-11(10)9-12/h6-9H,3-5H2,1-2H3
InChIKeyUWHAPYGMUFIHOX-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.02
Rot. Bonds2

About 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene

2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 143787705) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
PubChem CID143787705
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
SMILESCOC1=Cc2ccc(OC)cc2CCC1
InChIInChI=1S/C13H16O2/c1-14-12-5-3-4-10-8-13(15-2)7-6-11(10)9-12/h6-9H,3-5H2,1-2H3
InChIKeyUWHAPYGMUFIHOX-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(5E)-2-methoxy-7,8,9,10-tetrahydrobenzo[8]annulen-6-yl] trifluoromethanesulfonate
CID 155222030
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
CID 132552094
(3-methoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl) trifluoromethanesulfonate
CID 155712357
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 57081453
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
7-methoxy-3-(1-methoxypropyl)-1,2-dihydronaphthalene
CID 143846492
3,7-dimethoxy-1H-naphthalen-2-one
CID 142704894
13-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-5-one
CID 3662313
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10681104
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene (CID 143787705) is 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene is COC1=Cc2ccc(OC)cc2CCC1.
What is the InChIKey of 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is UWHAPYGMUFIHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-14-12-5-3-4-10-8-13(15-2)7-6-11(10)9-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene?
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 204.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 143787705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).