1-(2-chlorophenyl)-3-ethoxypropan-1-ol

C11H15ClO2 — CID 115601597

IUPAC1-(2-chlorophenyl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-2-14-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyQRILHPAAMROHTP-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-chlorophenyl)-3-ethoxypropan-1-ol

1-(2-chlorophenyl)-3-ethoxypropan-1-ol (PubChem CID 115601597) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-ethoxypropan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-ethoxypropan-1-ol
PubChem CID115601597
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(2-chlorophenyl)-3-ethoxypropan-1-ol
SMILESCCOCCC(O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-2-14-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyQRILHPAAMROHTP-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111999455
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
1-(2-chlorophenyl)-4-methylsulfanylbutan-1-ol
CID 103090055
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-ethoxypropan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-ethoxypropan-1-ol (CID 115601597) is 1-(2-chlorophenyl)-3-ethoxypropan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-ethoxypropan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-ethoxypropan-1-ol is CCOCCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-ethoxypropan-1-ol?
The InChIKey is QRILHPAAMROHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-14-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-ethoxypropan-1-ol?
1-(2-chlorophenyl)-3-ethoxypropan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-ethoxypropan-1-ol is sourced from PubChem (CID 115601597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).