4-methoxy-6-propan-2-ylazulene

C14H16O — CID 56627743

IUPAC4-methoxy-6-propan-2-ylazulene
SMILESCOc1cc(C(C)C)ccc2cccc1-2
InChIInChI=1S/C14H16O/c1-10(2)12-8-7-11-5-4-6-13(11)14(9-12)15-3/h4-10H,1-3H3
InChIKeyCEJNOCQOIWVUHL-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.92
Rot. Bonds2

About 4-methoxy-6-propan-2-ylazulene

4-methoxy-6-propan-2-ylazulene (PubChem CID 56627743) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-ylazulene.

Molecular Properties

Compound Name4-methoxy-6-propan-2-ylazulene
PubChem CID56627743
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name4-methoxy-6-propan-2-ylazulene
SMILESCOc1cc(C(C)C)ccc2cccc1-2
InChIInChI=1S/C14H16O/c1-10(2)12-8-7-11-5-4-6-13(11)14(9-12)15-3/h4-10H,1-3H3
InChIKeyCEJNOCQOIWVUHL-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
CID 90878179
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile
CID 175670294
2-[3-(2-methoxy-5-propan-2-ylphenyl)phenyl]propan-2-ol
CID 165115865
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-ylazulene?
The IUPAC name of 4-methoxy-6-propan-2-ylazulene (CID 56627743) is 4-methoxy-6-propan-2-ylazulene.
What is the SMILES notation for 4-methoxy-6-propan-2-ylazulene?
The canonical SMILES for 4-methoxy-6-propan-2-ylazulene is COc1cc(C(C)C)ccc2cccc1-2.
What is the InChIKey of 4-methoxy-6-propan-2-ylazulene?
The InChIKey is CEJNOCQOIWVUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10(2)12-8-7-11-5-4-6-13(11)14(9-12)15-3/h4-10H,1-3H3.
What are the key properties of 4-methoxy-6-propan-2-ylazulene?
4-methoxy-6-propan-2-ylazulene has a molecular weight of 200.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-ylazulene is sourced from PubChem (CID 56627743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).