[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol

C10H11Cl2FO2 — CID 140798724

IUPAC[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCF)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl2FO2/c11-9-7(6-14)2-3-8(10(9)12)15-5-1-4-13/h2-3,14H,1,4-6H2
InChIKeyLPEGOAPUPRRFKB-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.22
Rot. Bonds5

About [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol

[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol (PubChem CID 140798724) has the molecular formula C10H11Cl2FO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol
PubChem CID140798724
Molecular FormulaC10H11Cl2FO2
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Name[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCF)c(Cl)c1Cl
InChIInChI=1S/C10H11Cl2FO2/c11-9-7(6-14)2-3-8(10(9)12)15-5-1-4-13/h2-3,14H,1,4-6H2
InChIKeyLPEGOAPUPRRFKB-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol?
The IUPAC name of [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol (CID 140798724) is [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol.
What is the SMILES notation for [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol?
The canonical SMILES for [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol is OCc1ccc(OCCCF)c(Cl)c1Cl.
What is the InChIKey of [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol?
The InChIKey is LPEGOAPUPRRFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2/c11-9-7(6-14)2-3-8(10(9)12)15-5-1-4-13/h2-3,14H,1,4-6H2.
What are the key properties of [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol?
[2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol has a molecular weight of 253.10 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dichloro-4-(3-fluoropropoxy)phenyl]methanol is sourced from PubChem (CID 140798724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).