4-(3-chloropropyl)-2-(difluoromethoxy)phenol

C10H11ClF2O2 — CID 118807022

IUPAC4-(3-chloropropyl)-2-(difluoromethoxy)phenol
SMILESOc1ccc(CCCCl)cc1OC(F)F
InChIInChI=1S/C10H11ClF2O2/c11-5-1-2-7-3-4-8(14)9(6-7)15-10(12)13/h3-4,6,10,14H,1-2,5H2
InChIKeyVNOQILUTAMDLFH-UHFFFAOYSA-N
MW236.64 g/mol
LogP3.16
Rot. Bonds5

About 4-(3-chloropropyl)-2-(difluoromethoxy)phenol

4-(3-chloropropyl)-2-(difluoromethoxy)phenol (PubChem CID 118807022) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.64 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-(difluoromethoxy)phenol.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-(difluoromethoxy)phenol
PubChem CID118807022
Molecular FormulaC10H11ClF2O2
Molecular Weight236.64 g/mol
Exact Mass236.04
IUPAC Name4-(3-chloropropyl)-2-(difluoromethoxy)phenol
SMILESOc1ccc(CCCCl)cc1OC(F)F
InChIInChI=1S/C10H11ClF2O2/c11-5-1-2-7-3-4-8(14)9(6-7)15-10(12)13/h3-4,6,10,14H,1-2,5H2
InChIKeyVNOQILUTAMDLFH-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 134619284
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 134616422
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
5-[3-(difluoromethoxy)-4-methoxyphenyl]pentanoic acid
CID 114193865
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 119016478
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
2-(difluoromethoxy)-4-isocyanophenol
CID 123904131
4-butyl-2-(difluoromethoxy)benzonitrile
CID 162613149
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2-(difluoromethoxy)phenol?
The IUPAC name of 4-(3-chloropropyl)-2-(difluoromethoxy)phenol (CID 118807022) is 4-(3-chloropropyl)-2-(difluoromethoxy)phenol.
What is the SMILES notation for 4-(3-chloropropyl)-2-(difluoromethoxy)phenol?
The canonical SMILES for 4-(3-chloropropyl)-2-(difluoromethoxy)phenol is Oc1ccc(CCCCl)cc1OC(F)F.
What is the InChIKey of 4-(3-chloropropyl)-2-(difluoromethoxy)phenol?
The InChIKey is VNOQILUTAMDLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2/c11-5-1-2-7-3-4-8(14)9(6-7)15-10(12)13/h3-4,6,10,14H,1-2,5H2.
What are the key properties of 4-(3-chloropropyl)-2-(difluoromethoxy)phenol?
4-(3-chloropropyl)-2-(difluoromethoxy)phenol has a molecular weight of 236.64 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-(difluoromethoxy)phenol is sourced from PubChem (CID 118807022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).