[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol

C10H9Cl3O2 — CID 43516247

IUPAC[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
SMILESC=C(Cl)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H9Cl3O2/c1-6(11)5-15-10-7(4-14)2-8(12)3-9(10)13/h2-3,14H,1,4-5H2
InChIKeyCBCJNOLLKHIEMR-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.62
Rot. Bonds4

About [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol

[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol (PubChem CID 43516247) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
PubChem CID43516247
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
SMILESC=C(Cl)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H9Cl3O2/c1-6(11)5-15-10-7(4-14)2-8(12)3-9(10)13/h2-3,14H,1,4-5H2
InChIKeyCBCJNOLLKHIEMR-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900680
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
CID 61490364
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
[3,5-dichloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methanol
CID 62196694

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol (CID 43516247) is [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol is C=C(Cl)COc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The InChIKey is CBCJNOLLKHIEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c1-6(11)5-15-10-7(4-14)2-8(12)3-9(10)13/h2-3,14H,1,4-5H2.
What are the key properties of [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol?
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol has a molecular weight of 267.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 43516247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).