1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol

C14H20Cl2O3 — CID 71384988

IUPAC1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2O3/c1-2-3-4-7-18-9-12(17)10-19-14-6-5-11(15)8-13(14)16/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyZQXDAXNNERMFCT-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.94
Rot. Bonds9

About 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol

1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol (PubChem CID 71384988) has the molecular formula C14H20Cl2O3 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
PubChem CID71384988
Molecular FormulaC14H20Cl2O3
Molecular Weight307.22 g/mol
Exact Mass306.08
IUPAC Name1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2O3/c1-2-3-4-7-18-9-12(17)10-19-14-6-5-11(15)8-13(14)16/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyZQXDAXNNERMFCT-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[2-chloro-4-(hydroxymethyl)phenoxy]propan-2-ol
CID 107263397
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-heptoxypropan-2-ol
CID 21423824
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol (CID 71384988) is 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol is CCCCCOCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol?
The InChIKey is ZQXDAXNNERMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O3/c1-2-3-4-7-18-9-12(17)10-19-14-6-5-11(15)8-13(14)16/h5-6,8,12,17H,2-4,7,9-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol?
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol has a molecular weight of 307.22 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol is sourced from PubChem (CID 71384988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).