4-butoxy-1,2-dihydronaphthalene

C14H18O — CID 123157654

IUPAC4-butoxy-1,2-dihydronaphthalene
SMILESCCCCOC1=CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9-10H,2-3,6,8,11H2,1H3
InChIKeyYDYVRGSPUWCKRA-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.79
Rot. Bonds4

About 4-butoxy-1,2-dihydronaphthalene

4-butoxy-1,2-dihydronaphthalene (PubChem CID 123157654) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-butoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-butoxy-1,2-dihydronaphthalene
PubChem CID123157654
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-butoxy-1,2-dihydronaphthalene
SMILESCCCCOC1=CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9-10H,2-3,6,8,11H2,1H3
InChIKeyYDYVRGSPUWCKRA-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl(3,4-dihydronaphthalen-1-yloxy)stannane
CID 16689009
3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
CID 144517002
2-[(1S)-1-(3,4-dihydronaphthalen-1-yloxy)pentyl]thiophene
CID 158710267
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
CID 15891544
9,10-dihydrophenanthrene;ethane
CID 143759681
bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;henicosane
CID 174789372
4-butoxy-1-(oxomethylidene)-2H-fluoren-9-one
CID 174465913

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1,2-dihydronaphthalene?
The IUPAC name of 4-butoxy-1,2-dihydronaphthalene (CID 123157654) is 4-butoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 4-butoxy-1,2-dihydronaphthalene?
The canonical SMILES for 4-butoxy-1,2-dihydronaphthalene is CCCCOC1=CCCc2ccccc21.
What is the InChIKey of 4-butoxy-1,2-dihydronaphthalene?
The InChIKey is YDYVRGSPUWCKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9-10H,2-3,6,8,11H2,1H3.
What are the key properties of 4-butoxy-1,2-dihydronaphthalene?
4-butoxy-1,2-dihydronaphthalene has a molecular weight of 202.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 123157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).