1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol

C12H14Cl2O2 — CID 115495734

IUPAC1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OC/C(Cl)=C/Cl)cc1
InChIInChI=1S/C12H14Cl2O2/c1-9(15)6-10-2-4-12(5-3-10)16-8-11(14)7-13/h2-5,7,9,15H,6,8H2,1H3/b11-7-
InChIKeyAWZYMVCRSBQLTA-XFFZJAGNSA-N
MW261.15 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol

1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol (PubChem CID 115495734) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
PubChem CID115495734
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OC/C(Cl)=C/Cl)cc1
InChIInChI=1S/C12H14Cl2O2/c1-9(15)6-10-2-4-12(5-3-10)16-8-11(14)7-13/h2-5,7,9,15H,6,8H2,1H3/b11-7-
InChIKeyAWZYMVCRSBQLTA-XFFZJAGNSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
CID 79168528
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79173371
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898
1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol
CID 89301664
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
1-[4-(2-isothiocyanatoethoxy)phenyl]propan-2-ol
CID 56629229

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol (CID 115495734) is 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol is CC(O)Cc1ccc(OC/C(Cl)=C/Cl)cc1.
What is the InChIKey of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol?
The InChIKey is AWZYMVCRSBQLTA-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-9(15)6-10-2-4-12(5-3-10)16-8-11(14)7-13/h2-5,7,9,15H,6,8H2,1H3/b11-7-.
What are the key properties of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol?
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol has a molecular weight of 261.15 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol is sourced from PubChem (CID 115495734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).