1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol

C12H15ClO2 — CID 43505392

IUPAC1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
SMILESC=C(Cl)COc1ccc(C)cc1C(C)O
InChIInChI=1S/C12H15ClO2/c1-8-4-5-12(15-7-9(2)13)11(6-8)10(3)14/h4-6,10,14H,2,7H2,1,3H3
InChIKeyNLVOWTGWAPDFAU-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol

1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol (PubChem CID 43505392) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
PubChem CID43505392
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
SMILESC=C(Cl)COc1ccc(C)cc1C(C)O
InChIInChI=1S/C12H15ClO2/c1-8-4-5-12(15-7-9(2)13)11(6-8)10(3)14/h4-6,10,14H,2,7H2,1,3H3
InChIKeyNLVOWTGWAPDFAU-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol
CID 78931075
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol (CID 43505392) is 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol is C=C(Cl)COc1ccc(C)cc1C(C)O.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The InChIKey is NLVOWTGWAPDFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-4-5-12(15-7-9(2)13)11(6-8)10(3)14/h4-6,10,14H,2,7H2,1,3H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol has a molecular weight of 226.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 43505392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).