4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol

C20H27AsO2 — CID 173421421

IUPAC4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
SMILESOCCCCc1ccc([AsH]c2ccc(CCCCO)cc2)cc1
InChIInChI=1S/C20H27AsO2/c22-15-3-1-5-17-7-11-19(12-8-17)21-20-13-9-18(10-14-20)6-2-4-16-23/h7-14,21-23H,1-6,15-16H2
InChIKeyUMLJYCSYRCYSIG-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.70
Rot. Bonds10

About 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol

4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol (PubChem CID 173421421) has the molecular formula C20H27AsO2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
PubChem CID173421421
Molecular FormulaC20H27AsO2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
SMILESOCCCCc1ccc([AsH]c2ccc(CCCCO)cc2)cc1
InChIInChI=1S/C20H27AsO2/c22-15-3-1-5-17-7-11-19(12-8-17)21-20-13-9-18(10-14-20)6-2-4-16-23/h7-14,21-23H,1-6,15-16H2
InChIKeyUMLJYCSYRCYSIG-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(12-hydroxydodecyl)phenol
CID 139809285
4-(4-propylphenyl)butan-1-ol
CID 10511962
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
CID 71362156
4-(4-phenylphenyl)butan-1-ol
CID 11970468
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
4-(3-iodo-4-methylphenyl)butan-1-ol
CID 118689194
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol?
The IUPAC name of 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol (CID 173421421) is 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol.
What is the SMILES notation for 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol?
The canonical SMILES for 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol is OCCCCc1ccc([AsH]c2ccc(CCCCO)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol?
The InChIKey is UMLJYCSYRCYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27AsO2/c22-15-3-1-5-17-7-11-19(12-8-17)21-20-13-9-18(10-14-20)6-2-4-16-23/h7-14,21-23H,1-6,15-16H2.
What are the key properties of 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol?
4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol has a molecular weight of 374.36 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol is sourced from PubChem (CID 173421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).