2-(3-ethyl-1-phenylnonoxy)ethanol

C19H32O2 — CID 12997328

IUPAC2-(3-ethyl-1-phenylnonoxy)ethanol
SMILESCCCCCCC(CC)CC(OCCO)c1ccccc1
InChIInChI=1S/C19H32O2/c1-3-5-6-8-11-17(4-2)16-19(21-15-14-20)18-12-9-7-10-13-18/h7,9-10,12-13,17,19-20H,3-6,8,11,14-16H2,1-2H3
InChIKeyCYQDOSMJCRJMFH-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.12
Rot. Bonds12

About 2-(3-ethyl-1-phenylnonoxy)ethanol

2-(3-ethyl-1-phenylnonoxy)ethanol (PubChem CID 12997328) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-(3-ethyl-1-phenylnonoxy)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-1-phenylnonoxy)ethanol
PubChem CID12997328
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-(3-ethyl-1-phenylnonoxy)ethanol
SMILESCCCCCCC(CC)CC(OCCO)c1ccccc1
InChIInChI=1S/C19H32O2/c1-3-5-6-8-11-17(4-2)16-19(21-15-14-20)18-12-9-7-10-13-18/h7,9-10,12-13,17,19-20H,3-6,8,11,14-16H2,1-2H3
InChIKeyCYQDOSMJCRJMFH-UHFFFAOYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethyl-1-phenylnonoxy)ethanol 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-dodecoxyhexylbenzene
CID 174774790
5-ethyl-3-phenylnonan-1-ol
CID 145204155
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-pentoxypropylbenzene
CID 57033372
1-pentoxybutylbenzene
CID 173061669
1-ethoxydecylbenzene
CID 71423896
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
3-phenylundecan-1-ol
CID 101150144
azane;3-ethylhenicosan-1-ol
CID 174815540

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-phenylnonoxy)ethanol?
The IUPAC name of 2-(3-ethyl-1-phenylnonoxy)ethanol (CID 12997328) is 2-(3-ethyl-1-phenylnonoxy)ethanol.
What is the SMILES notation for 2-(3-ethyl-1-phenylnonoxy)ethanol?
The canonical SMILES for 2-(3-ethyl-1-phenylnonoxy)ethanol is CCCCCCC(CC)CC(OCCO)c1ccccc1.
What is the InChIKey of 2-(3-ethyl-1-phenylnonoxy)ethanol?
The InChIKey is CYQDOSMJCRJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-5-6-8-11-17(4-2)16-19(21-15-14-20)18-12-9-7-10-13-18/h7,9-10,12-13,17,19-20H,3-6,8,11,14-16H2,1-2H3.
What are the key properties of 2-(3-ethyl-1-phenylnonoxy)ethanol?
2-(3-ethyl-1-phenylnonoxy)ethanol has a molecular weight of 292.46 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-phenylnonoxy)ethanol is sourced from PubChem (CID 12997328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).