3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol

C12H15ClO — CID 70173310

IUPAC3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
SMILESC=CCc1ccc(C(O)CCCl)cc1
InChIInChI=1S/C12H15ClO/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13/h2,4-7,12,14H,1,3,8-9H2
InChIKeyWILKHNJUCXWMGY-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.08
Rot. Bonds5

About 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol

3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol (PubChem CID 70173310) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
PubChem CID70173310
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
SMILESC=CCc1ccc(C(O)CCCl)cc1
InChIInChI=1S/C12H15ClO/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13/h2,4-7,12,14H,1,3,8-9H2
InChIKeyWILKHNJUCXWMGY-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(4-iodophenyl)propan-1-ol
CID 165357232
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
CID 11480918
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
CID 54350768
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
1-(6-prop-2-enylnaphthalen-2-yl)ethanol
CID 67804497
2-(4-prop-2-enylphenyl)propanenitrile
CID 70598222
1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427
1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
CID 112509934
2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid
CID 131723379
di(propan-2-yl)-(4-prop-2-enylphenyl)silane
CID 174736513
4-prop-2-enylbenzenecarboximidamide
CID 67813760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol?
The IUPAC name of 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol (CID 70173310) is 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol?
The canonical SMILES for 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol is C=CCc1ccc(C(O)CCCl)cc1.
What is the InChIKey of 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol?
The InChIKey is WILKHNJUCXWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13/h2,4-7,12,14H,1,3,8-9H2.
What are the key properties of 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol?
3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol is sourced from PubChem (CID 70173310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).