1-(3,4-dichlorophenyl)-2-propoxyethanol

C11H14Cl2O2 — CID 62539379

IUPAC1-(3,4-dichlorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O2/c1-2-5-15-7-11(14)8-3-4-9(12)10(13)6-8/h3-4,6,11,14H,2,5,7H2,1H3
InChIKeyCUZHHPUJXDZKLV-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.45
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-propoxyethanol

1-(3,4-dichlorophenyl)-2-propoxyethanol (PubChem CID 62539379) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-propoxyethanol
PubChem CID62539379
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name1-(3,4-dichlorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O2/c1-2-5-15-7-11(14)8-3-4-9(12)10(13)6-8/h3-4,6,11,14H,2,5,7H2,1H3
InChIKeyCUZHHPUJXDZKLV-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.45
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

1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl] methanesulfonate
CID 87402550
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
2-(butylamino)-1-(3,4-dichlorophenyl)ethanol
CID 82315757
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-propoxyethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-propoxyethanol (CID 62539379) is 1-(3,4-dichlorophenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-propoxyethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-propoxyethanol?
The InChIKey is CUZHHPUJXDZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-2-5-15-7-11(14)8-3-4-9(12)10(13)6-8/h3-4,6,11,14H,2,5,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-propoxyethanol?
1-(3,4-dichlorophenyl)-2-propoxyethanol has a molecular weight of 249.14 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-propoxyethanol is sourced from PubChem (CID 62539379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).