3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol

C11H15ClO3 — CID 174484313

IUPAC3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
SMILESOCCCOC(O)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClO3/c12-10-5-2-1-4-9(10)8-11(14)15-7-3-6-13/h1-2,4-5,11,13-14H,3,6-8H2
InChIKeyIDPSADDOJXICDP-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.60
Rot. Bonds6

About 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol

3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol (PubChem CID 174484313) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
PubChem CID174484313
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
SMILESOCCCOC(O)Cc1ccccc1Cl
InChIInChI=1S/C11H15ClO3/c12-10-5-2-1-4-9(10)8-11(14)15-7-3-6-13/h1-2,4-5,11,13-14H,3,6-8H2
InChIKeyIDPSADDOJXICDP-UHFFFAOYSA-N
XLogP1.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 86310638
(3R,6S)-1,8-bis(2-chlorophenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 54545376
1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene
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2-(2-chlorophenyl)-1-naphthalen-2-ylethanol
CID 62715892
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
1-(2-chlorophenyl)pent-4-yn-2-ol
CID 62232785
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
CID 116500248

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol?
The IUPAC name of 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol (CID 174484313) is 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol is OCCCOC(O)Cc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol?
The InChIKey is IDPSADDOJXICDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c12-10-5-2-1-4-9(10)8-11(14)15-7-3-6-13/h1-2,4-5,11,13-14H,3,6-8H2.
What are the key properties of 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol?
3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol has a molecular weight of 230.69 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol is sourced from PubChem (CID 174484313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).