1-(3-chlorophenoxy)undecan-2-ol

C17H27ClO2 — CID 105084879

IUPAC1-(3-chlorophenoxy)undecan-2-ol
SMILESCCCCCCCCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C17H27ClO2/c1-2-3-4-5-6-7-8-11-16(19)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,2-8,11,14H2,1H3
InChIKeyOQYDHWUUIOZOOZ-UHFFFAOYSA-N
MW298.85 g/mol
LogP5.22
Rot. Bonds11

About 1-(3-chlorophenoxy)undecan-2-ol

1-(3-chlorophenoxy)undecan-2-ol (PubChem CID 105084879) has the molecular formula C17H27ClO2 and a molecular weight of 298.85 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)undecan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)undecan-2-ol
PubChem CID105084879
Molecular FormulaC17H27ClO2
Molecular Weight298.85 g/mol
Exact Mass298.17
IUPAC Name1-(3-chlorophenoxy)undecan-2-ol
SMILESCCCCCCCCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C17H27ClO2/c1-2-3-4-5-6-7-8-11-16(19)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,2-8,11,14H2,1H3
InChIKeyOQYDHWUUIOZOOZ-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenoxy)undecan-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

1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)undecan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)undecan-2-ol (CID 105084879) is 1-(3-chlorophenoxy)undecan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)undecan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)undecan-2-ol is CCCCCCCCCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)undecan-2-ol?
The InChIKey is OQYDHWUUIOZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO2/c1-2-3-4-5-6-7-8-11-16(19)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,2-8,11,14H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)undecan-2-ol?
1-(3-chlorophenoxy)undecan-2-ol has a molecular weight of 298.85 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)undecan-2-ol is sourced from PubChem (CID 105084879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).