2-chloro-1-(2-ethoxyphenyl)ethanol

C10H13ClO2 — CID 83001097

IUPAC2-chloro-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)CCl
InChIInChI=1S/C10H13ClO2/c1-2-13-10-6-4-3-5-8(10)9(12)7-11/h3-6,9,12H,2,7H2,1H3
InChIKeyPTUQZKOXHGWGFO-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.36
Rot. Bonds4

About 2-chloro-1-(2-ethoxyphenyl)ethanol

2-chloro-1-(2-ethoxyphenyl)ethanol (PubChem CID 83001097) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-chloro-1-(2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(2-ethoxyphenyl)ethanol
PubChem CID83001097
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-chloro-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)CCl
InChIInChI=1S/C10H13ClO2/c1-2-13-10-6-4-3-5-8(10)9(12)7-11/h3-6,9,12H,2,7H2,1H3
InChIKeyPTUQZKOXHGWGFO-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(2-ethoxyphenyl)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-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
1-(2-ethoxyphenyl)-2-propylsulfanylethanol
CID 65129597
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-ethoxyphenyl)ethanol?
The IUPAC name of 2-chloro-1-(2-ethoxyphenyl)ethanol (CID 83001097) is 2-chloro-1-(2-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(2-ethoxyphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(2-ethoxyphenyl)ethanol is CCOc1ccccc1C(O)CCl.
What is the InChIKey of 2-chloro-1-(2-ethoxyphenyl)ethanol?
The InChIKey is PTUQZKOXHGWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-13-10-6-4-3-5-8(10)9(12)7-11/h3-6,9,12H,2,7H2,1H3.
What are the key properties of 2-chloro-1-(2-ethoxyphenyl)ethanol?
2-chloro-1-(2-ethoxyphenyl)ethanol has a molecular weight of 200.66 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethoxyphenyl)ethanol is sourced from PubChem (CID 83001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).