2-butoxy-2,3-dihydrobenzo[g][1]benzofuran

C16H18O2 — CID 71816977

IUPAC2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
SMILESCCCCOC1Cc2ccc3ccccc3c2O1
InChIInChI=1S/C16H18O2/c1-2-3-10-17-15-11-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-9,15H,2-3,10-11H2,1H3
InChIKeyXMVHGONEBDVBER-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.92
Rot. Bonds4

About 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran

2-butoxy-2,3-dihydrobenzo[g][1]benzofuran (PubChem CID 71816977) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran.

Molecular Properties

Compound Name2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
PubChem CID71816977
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
SMILESCCCCOC1Cc2ccc3ccccc3c2O1
InChIInChI=1S/C16H18O2/c1-2-3-10-17-15-11-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-9,15H,2-3,10-11H2,1H3
InChIKeyXMVHGONEBDVBER-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2,3-dihydrobenzo[g][1]benzofuran
CID 102323760
2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one
CID 11392055
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
CID 14667618
heptane;phenanthrene
CID 157482146
2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
CID 68583866
1-butoxynaphthalene
CID 13262700
3H-benzo[g][1,2]benzodioxole
CID 54077713
2-phenyl-3,4-dihydro-2H-benzo[h]chromene
CID 15828390
(3S)-3-butoxy-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 154992776
2-(2-butoxynaphthalen-1-yl)thiolane
CID 23149396
2-butoxy-1-naphthalen-1-ylthiolan-1-ium
CID 21114108

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran?
The IUPAC name of 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran (CID 71816977) is 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran.
What is the SMILES notation for 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran?
The canonical SMILES for 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran is CCCCOC1Cc2ccc3ccccc3c2O1.
What is the InChIKey of 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran?
The InChIKey is XMVHGONEBDVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-3-10-17-15-11-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-9,15H,2-3,10-11H2,1H3.
What are the key properties of 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran?
2-butoxy-2,3-dihydrobenzo[g][1]benzofuran has a molecular weight of 242.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,3-dihydrobenzo[g][1]benzofuran is sourced from PubChem (CID 71816977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).