1-butoxy-2-phosphorosobenzene

C10H13O2P — CID 57135046

IUPAC1-butoxy-2-phosphorosobenzene
SMILESCCCCOc1ccccc1P=O
InChIInChI=1S/C10H13O2P/c1-2-3-8-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
InChIKeyBYMJLEFHIOZCAE-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.78
Rot. Bonds5

About 1-butoxy-2-phosphorosobenzene

1-butoxy-2-phosphorosobenzene (PubChem CID 57135046) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is 1-butoxy-2-phosphorosobenzene.

Molecular Properties

Compound Name1-butoxy-2-phosphorosobenzene
PubChem CID57135046
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name1-butoxy-2-phosphorosobenzene
SMILESCCCCOc1ccccc1P=O
InChIInChI=1S/C10H13O2P/c1-2-3-8-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
InChIKeyBYMJLEFHIOZCAE-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
1-butoxynaphthalene
CID 13262700
tris(2-butoxyphenyl)sulfanium
CID 87493432
N-(2-butoxyphenyl)propanamide
CID 15943029
1-ethyl-2-heptoxybenzene
CID 22723794
(2-butoxyphenyl)-trimethylsilane
CID 123527400
2-butoxybenzenesulfonyl chloride
CID 21253032
1-(2-butoxyphenyl)propan-2-one
CID 82161473

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-phosphorosobenzene?
The IUPAC name of 1-butoxy-2-phosphorosobenzene (CID 57135046) is 1-butoxy-2-phosphorosobenzene.
What is the SMILES notation for 1-butoxy-2-phosphorosobenzene?
The canonical SMILES for 1-butoxy-2-phosphorosobenzene is CCCCOc1ccccc1P=O.
What is the InChIKey of 1-butoxy-2-phosphorosobenzene?
The InChIKey is BYMJLEFHIOZCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-2-3-8-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-butoxy-2-phosphorosobenzene?
1-butoxy-2-phosphorosobenzene has a molecular weight of 196.19 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-phosphorosobenzene is sourced from PubChem (CID 57135046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).