5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol

C17H17Cl2NO2 — CID 90893874

IUPAC5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol
SMILESO=NC(CCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-8-9-15(16(19)11-14)12-4-6-13(7-5-12)17(20-22)3-1-2-10-21/h4-9,11,17,21H,1-3,10H2
InChIKeyFLVQHLZDMHNCJA-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.63
Rot. Bonds7

About 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol

5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol (PubChem CID 90893874) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol.

Molecular Properties

Compound Name5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol
PubChem CID90893874
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol
SMILESO=NC(CCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-8-9-15(16(19)11-14)12-4-6-13(7-5-12)17(20-22)3-1-2-10-21/h4-9,11,17,21H,1-3,10H2
InChIKeyFLVQHLZDMHNCJA-UHFFFAOYSA-N
XLogP5.63
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol
CID 157128874
N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63428205
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
(2S)-2-amino-4-[[3-[4-(2,4-dichlorophenyl)phenyl]-4,4,4-trifluorobutyl]sulfonimidoyl]butanoic acid
CID 174247132
3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
CID 59946858
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
(Z)-3-[4-(2,4-dichlorophenyl)phenyl]but-2-enoic acid
CID 21322547
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol?
The IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol (CID 90893874) is 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol.
What is the SMILES notation for 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol?
The canonical SMILES for 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol is O=NC(CCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol?
The InChIKey is FLVQHLZDMHNCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-14-8-9-15(16(19)11-14)12-4-6-13(7-5-12)17(20-22)3-1-2-10-21/h4-9,11,17,21H,1-3,10H2.
What are the key properties of 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol?
5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol has a molecular weight of 338.23 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dichlorophenyl)phenyl]-5-nitrosopentan-1-ol is sourced from PubChem (CID 90893874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).