1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol

C12H15ClO3 — CID 82002087

IUPAC1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
SMILESC=C(Cl)COc1cc(OC)ccc1C(C)O
InChIInChI=1S/C12H15ClO3/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9,14H,1,7H2,2-3H3
InChIKeyFHIGDWVVACPKNC-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol

1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol (PubChem CID 82002087) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
PubChem CID82002087
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
SMILESC=C(Cl)COc1cc(OC)ccc1C(C)O
InChIInChI=1S/C12H15ClO3/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9,14H,1,7H2,2-3H3
InChIKeyFHIGDWVVACPKNC-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol (CID 82002087) is 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol is C=C(Cl)COc1cc(OC)ccc1C(C)O.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol?
The InChIKey is FHIGDWVVACPKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9,14H,1,7H2,2-3H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol?
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol has a molecular weight of 242.70 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82002087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).