1-chlorononadecan-2-ol

C19H39ClO — CID 54013510

IUPAC1-chlorononadecan-2-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CCl
InChIInChI=1S/C19H39ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h19,21H,2-18H2,1H3
InChIKeyHSNXCBJXEXQAGC-UHFFFAOYSA-N
MW318.97 g/mol
LogP6.85
Rot. Bonds17

About 1-chlorononadecan-2-ol

1-chlorononadecan-2-ol (PubChem CID 54013510) has the molecular formula C19H39ClO and a molecular weight of 318.97 g/mol. Its IUPAC name is 1-chlorononadecan-2-ol.

Molecular Properties

Compound Name1-chlorononadecan-2-ol
PubChem CID54013510
Molecular FormulaC19H39ClO
Molecular Weight318.97 g/mol
Exact Mass318.27
IUPAC Name1-chlorononadecan-2-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CCl
InChIInChI=1S/C19H39ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h19,21H,2-18H2,1H3
InChIKeyHSNXCBJXEXQAGC-UHFFFAOYSA-N
XLogP6.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.97
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chlorononadecan-2-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

(2R)-1-chlorooctan-2-ol
CID 12575177
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 1-chlorononadecan-2-ol?
The IUPAC name of 1-chlorononadecan-2-ol (CID 54013510) is 1-chlorononadecan-2-ol.
What is the SMILES notation for 1-chlorononadecan-2-ol?
The canonical SMILES for 1-chlorononadecan-2-ol is CCCCCCCCCCCCCCCCCC(O)CCl.
What is the InChIKey of 1-chlorononadecan-2-ol?
The InChIKey is HSNXCBJXEXQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20/h19,21H,2-18H2,1H3.
What are the key properties of 1-chlorononadecan-2-ol?
1-chlorononadecan-2-ol has a molecular weight of 318.97 g/mol, XLogP of 6.85, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorononadecan-2-ol is sourced from PubChem (CID 54013510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).