1-butoxynaphthalene

C14H16O — CID 13262700

IUPAC1-butoxynaphthalene
SMILESCCCCOc1cccc2ccccc12
InChIInChI=1S/C14H16O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
InChIKeyRBITXBWPKRSPEO-UHFFFAOYSA-N
MW200.28 g/mol
LogP4.02
Rot. Bonds4

About 1-butoxynaphthalene

1-butoxynaphthalene (PubChem CID 13262700) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-butoxynaphthalene.

Molecular Properties

Compound Name1-butoxynaphthalene
PubChem CID13262700
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-butoxynaphthalene
SMILESCCCCOc1cccc2ccccc12
InChIInChI=1S/C14H16O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
InChIKeyRBITXBWPKRSPEO-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 54.02
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

1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
1,4-dibutoxynaphthalene
CID 22016411
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
1-decoxyphenanthrene
CID 140993229
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
1-(3-chloropropoxy)naphthalene
CID 12685615
1,6-dipentoxynaphthalene
CID 22144299
5-butoxynaphthalen-1-amine
CID 67167958
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
1-(4-methylpentoxy)naphthalene
CID 83168126
1-butoxy-6,7-difluoronaphthalene
CID 70812007
1-nonoxyanthracene
CID 86193569

Frequently Asked Questions

What is the IUPAC name of 1-butoxynaphthalene?
The IUPAC name of 1-butoxynaphthalene (CID 13262700) is 1-butoxynaphthalene.
What is the SMILES notation for 1-butoxynaphthalene?
The canonical SMILES for 1-butoxynaphthalene is CCCCOc1cccc2ccccc12.
What is the InChIKey of 1-butoxynaphthalene?
The InChIKey is RBITXBWPKRSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3.
What are the key properties of 1-butoxynaphthalene?
1-butoxynaphthalene has a molecular weight of 200.28 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxynaphthalene is sourced from PubChem (CID 13262700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).