1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol

C11H13ClO2 — CID 43504343

IUPAC1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1cccc(C(C)O)c1
InChIInChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-4-10(6-11)9(2)13/h3-6,9,13H,1,7H2,2H3
InChIKeyFMQHJZFXVSYRLE-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol

1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol (PubChem CID 43504343) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
PubChem CID43504343
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1cccc(C(C)O)c1
InChIInChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-4-10(6-11)9(2)13/h3-6,9,13H,1,7H2,2H3
InChIKeyFMQHJZFXVSYRLE-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 78930519
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol (CID 43504343) is 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol is C=C(Cl)COc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol?
The InChIKey is FMQHJZFXVSYRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-4-10(6-11)9(2)13/h3-6,9,13H,1,7H2,2H3.
What are the key properties of 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol?
1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol has a molecular weight of 212.68 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 43504343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).