10-isocyanato-1-phenyldecan-1-ol

C17H25NO2 — CID 155127886

IUPAC10-isocyanato-1-phenyldecan-1-ol
SMILESO=C=NCCCCCCCCCC(O)c1ccccc1
InChIInChI=1S/C17H25NO2/c19-15-18-14-10-5-3-1-2-4-9-13-17(20)16-11-7-6-8-12-16/h6-8,11-12,17,20H,1-5,9-10,13-14H2
InChIKeyHFRUXRKHLZOZPF-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.18
Rot. Bonds11

About 10-isocyanato-1-phenyldecan-1-ol

10-isocyanato-1-phenyldecan-1-ol (PubChem CID 155127886) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 10-isocyanato-1-phenyldecan-1-ol.

Molecular Properties

Compound Name10-isocyanato-1-phenyldecan-1-ol
PubChem CID155127886
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name10-isocyanato-1-phenyldecan-1-ol
SMILESO=C=NCCCCCCCCCC(O)c1ccccc1
InChIInChI=1S/C17H25NO2/c19-15-18-14-10-5-3-1-2-4-9-13-17(20)16-11-7-6-8-12-16/h6-8,11-12,17,20H,1-5,9-10,13-14H2
InChIKeyHFRUXRKHLZOZPF-UHFFFAOYSA-N
XLogP4.18
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 10-isocyanato-1-phenyldecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-isocyanato-1-phenylbutyl)benzene
CID 174773142
1-phenyldecane-1,10-diol
CID 15255187
(1R)-1-phenyloctan-1-ol
CID 12794259
6-chloro-1-phenylhexan-1-ol
CID 10398289
10-isocyanatodecoxybenzene
CID 18431201
2-isocyanatoethylbenzene;1-isocyanatooctadecane
CID 157275379
5-bromo-1-phenylpentan-1-ol
CID 121216668
5-chloro-1-phenylpentan-1-ol
CID 14449235
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
3-(methylideneamino)-1-phenylpropan-1-ol
CID 58002107
(1S)-1-phenylpentan-1-ol
CID 6992754
19-isocyanatononadecanoic acid
CID 87686800

Frequently Asked Questions

What is the IUPAC name of 10-isocyanato-1-phenyldecan-1-ol?
The IUPAC name of 10-isocyanato-1-phenyldecan-1-ol (CID 155127886) is 10-isocyanato-1-phenyldecan-1-ol.
What is the SMILES notation for 10-isocyanato-1-phenyldecan-1-ol?
The canonical SMILES for 10-isocyanato-1-phenyldecan-1-ol is O=C=NCCCCCCCCCC(O)c1ccccc1.
What is the InChIKey of 10-isocyanato-1-phenyldecan-1-ol?
The InChIKey is HFRUXRKHLZOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-15-18-14-10-5-3-1-2-4-9-13-17(20)16-11-7-6-8-12-16/h6-8,11-12,17,20H,1-5,9-10,13-14H2.
What are the key properties of 10-isocyanato-1-phenyldecan-1-ol?
10-isocyanato-1-phenyldecan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isocyanato-1-phenyldecan-1-ol is sourced from PubChem (CID 155127886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).