10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene

C16H16O — CID 142274275

IUPAC10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene
SMILESCOCC1C2=C(CC=CC=C2)c2ccccc21
InChIInChI=1S/C16H16O/c1-17-11-16-14-8-4-2-3-7-12(14)13-9-5-6-10-15(13)16/h2-6,8-10,16H,7,11H2,1H3
InChIKeyDULOHXSREOTUII-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.70
Rot. Bonds2

About 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene

10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene (PubChem CID 142274275) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene.

Molecular Properties

Compound Name10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene
PubChem CID142274275
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene
SMILESCOCC1C2=C(CC=CC=C2)c2ccccc21
InChIInChI=1S/C16H16O/c1-17-11-16-14-8-4-2-3-7-12(14)13-9-5-6-10-15(13)16/h2-6,8-10,16H,7,11H2,1H3
InChIKeyDULOHXSREOTUII-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene?
The IUPAC name of 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene (CID 142274275) is 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene.
What is the SMILES notation for 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene?
The canonical SMILES for 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene is COCC1C2=C(CC=CC=C2)c2ccccc21.
What is the InChIKey of 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene?
The InChIKey is DULOHXSREOTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-17-11-16-14-8-4-2-3-7-12(14)13-9-5-6-10-15(13)16/h2-6,8-10,16H,7,11H2,1H3.
What are the key properties of 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene?
10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene has a molecular weight of 224.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene is sourced from PubChem (CID 142274275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).