2-methoxy-1,2-dihydrocyclobuta[b]naphthalene

C13H12O — CID 135298847

IUPAC2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
SMILESCOC1Cc2cc3ccccc3cc21
InChIInChI=1S/C13H12O/c1-14-13-8-11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7,13H,8H2,1H3
InChIKeyVFXDCPNDWUTUCV-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.08
Rot. Bonds1

About 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene

2-methoxy-1,2-dihydrocyclobuta[b]naphthalene (PubChem CID 135298847) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene.

Molecular Properties

Compound Name2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
PubChem CID135298847
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
SMILESCOC1Cc2cc3ccccc3cc21
InChIInChI=1S/C13H12O/c1-14-13-8-11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7,13H,8H2,1H3
InChIKeyVFXDCPNDWUTUCV-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1,2-dihydrocyclobuta[b]naphthalene
CID 158617170
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate
CID 102261708
2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane
CID 58180764
trimethyl (1R,3S)-3-(4-methoxyphenyl)-3,4-dihydro-1H-anthracene-1,2,2-tricarboxylate
CID 139187578
tridecacyclo[18.10.10.105,16.02,19.04,17.06,15.08,13.021,30.023,28.031,40.033,38.041,50.043,48]pentaconta-2(19),3,6,8,10,12,14,17,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49-tricosaene
CID 23399582
1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
CID 146385208
8-methoxy-2-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 105429225
(3aR,11bR)-2-methyl-3a,4,5,11b-tetrahydronaphtho[2,3-e][1,3,2]benzodioxaborole
CID 6427266
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
1,4-dihydroanthracene
CID 10142816

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene?
The IUPAC name of 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene (CID 135298847) is 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene.
What is the SMILES notation for 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene?
The canonical SMILES for 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene is COC1Cc2cc3ccccc3cc21.
What is the InChIKey of 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene?
The InChIKey is VFXDCPNDWUTUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-14-13-8-11-6-9-4-2-3-5-10(9)7-12(11)13/h2-7,13H,8H2,1H3.
What are the key properties of 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene?
2-methoxy-1,2-dihydrocyclobuta[b]naphthalene has a molecular weight of 184.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2-dihydrocyclobuta[b]naphthalene is sourced from PubChem (CID 135298847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).