[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol

C10H9Cl3O2 — CID 79173766

IUPAC[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCC(Cl)=CCl
InChIInChI=1S/C10H9Cl3O2/c11-4-9(13)6-15-10-2-1-8(12)3-7(10)5-14/h1-4,14H,5-6H2
InChIKeyGPESWAQDFWSMLO-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.53
Rot. Bonds4

About [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol

[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol (PubChem CID 79173766) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
PubChem CID79173766
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCC(Cl)=CCl
InChIInChI=1S/C10H9Cl3O2/c11-4-9(13)6-15-10-2-1-8(12)3-7(10)5-14/h1-4,14H,5-6H2
InChIKeyGPESWAQDFWSMLO-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
tert-butyl 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
CID 86631069
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
CID 79168432

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol (CID 79173766) is [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol is OCc1cc(Cl)ccc1OCC(Cl)=CCl.
What is the InChIKey of [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol?
The InChIKey is GPESWAQDFWSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c11-4-9(13)6-15-10-2-1-8(12)3-7(10)5-14/h1-4,14H,5-6H2.
What are the key properties of [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol?
[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol has a molecular weight of 267.54 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 79173766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).