2-chloro-1-(4-propoxyphenyl)ethanol

C11H15ClO2 — CID 83001734

IUPAC2-chloro-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CCl)cc1
InChIInChI=1S/C11H15ClO2/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyFJNMCXIYERXXCW-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-1-(4-propoxyphenyl)ethanol

2-chloro-1-(4-propoxyphenyl)ethanol (PubChem CID 83001734) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-chloro-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(4-propoxyphenyl)ethanol
PubChem CID83001734
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-chloro-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CCl)cc1
InChIInChI=1S/C11H15ClO2/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyFJNMCXIYERXXCW-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407
3,5,5-trimethyl-1-(4-propoxyphenyl)hexan-1-ol
CID 115795331
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-chloro-1-(4-propoxyphenyl)ethanol (CID 83001734) is 2-chloro-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CCl)cc1.
What is the InChIKey of 2-chloro-1-(4-propoxyphenyl)ethanol?
The InChIKey is FJNMCXIYERXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 2-chloro-1-(4-propoxyphenyl)ethanol?
2-chloro-1-(4-propoxyphenyl)ethanol has a molecular weight of 214.69 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 83001734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).