1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol

C12H18O3 — CID 175511587

IUPAC1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol
SMILESCC(O)c1ccccc1CCOCCO
InChIInChI=1S/C12H18O3/c1-10(14)12-5-3-2-4-11(12)6-8-15-9-7-13/h2-5,10,13-14H,6-9H2,1H3
InChIKeyDVNUJPYPOSKYGU-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.29
Rot. Bonds6

About 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol

1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol (PubChem CID 175511587) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol
PubChem CID175511587
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol
SMILESCC(O)c1ccccc1CCOCCO
InChIInChI=1S/C12H18O3/c1-10(14)12-5-3-2-4-11(12)6-8-15-9-7-13/h2-5,10,13-14H,6-9H2,1H3
InChIKeyDVNUJPYPOSKYGU-UHFFFAOYSA-N
XLogP1.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]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

(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
CID 117287035
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
1-(2-prop-2-enylphenyl)ethanol
CID 10749513
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol (CID 175511587) is 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol is CC(O)c1ccccc1CCOCCO.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol?
The InChIKey is DVNUJPYPOSKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(14)12-5-3-2-4-11(12)6-8-15-9-7-13/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol?
1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol has a molecular weight of 210.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol is sourced from PubChem (CID 175511587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).