3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol

C10H11ClF2O2 — CID 117345741

IUPAC3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cc(Cl)c(F)c1CCCO
InChIInChI=1S/C10H11ClF2O2/c1-15-10-6(3-2-4-14)9(13)7(11)5-8(10)12/h5,14H,2-4H2,1H3
InChIKeyLSQAJWBAPKGHSI-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.55
Rot. Bonds4

About 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol

3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol (PubChem CID 117345741) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.64 g/mol. Its IUPAC name is 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
PubChem CID117345741
Molecular FormulaC10H11ClF2O2
Molecular Weight236.64 g/mol
Exact Mass236.04
IUPAC Name3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cc(Cl)c(F)c1CCCO
InChIInChI=1S/C10H11ClF2O2/c1-15-10-6(3-2-4-14)9(13)7(11)5-8(10)12/h5,14H,2-4H2,1H3
InChIKeyLSQAJWBAPKGHSI-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.55
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

4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol (CID 117345741) is 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol is COc1c(F)cc(Cl)c(F)c1CCCO.
What is the InChIKey of 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol?
The InChIKey is LSQAJWBAPKGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2/c1-15-10-6(3-2-4-14)9(13)7(11)5-8(10)12/h5,14H,2-4H2,1H3.
What are the key properties of 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol?
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol has a molecular weight of 236.64 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117345741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).