2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol

C10H11ClF2O2 — CID 117345751

IUPAC2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)c(C(C)CO)c(F)c1Cl
InChIInChI=1S/C10H11ClF2O2/c1-5(4-14)8-6(12)3-7(15-2)9(11)10(8)13/h3,5,14H,4H2,1-2H3
InChIKeyZOCGFUNUWICSOH-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol

2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 117345751) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.64 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
PubChem CID117345751
Molecular FormulaC10H11ClF2O2
Molecular Weight236.64 g/mol
Exact Mass236.04
IUPAC Name2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)c(C(C)CO)c(F)c1Cl
InChIInChI=1S/C10H11ClF2O2/c1-5(4-14)8-6(12)3-7(15-2)9(11)10(8)13/h3,5,14H,4H2,1-2H3
InChIKeyZOCGFUNUWICSOH-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117451005
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol (CID 117345751) is 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol is COc1cc(F)c(C(C)CO)c(F)c1Cl.
What is the InChIKey of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is ZOCGFUNUWICSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2/c1-5(4-14)8-6(12)3-7(15-2)9(11)10(8)13/h3,5,14H,4H2,1-2H3.
What are the key properties of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol?
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 236.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).