2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol

C13H17ClO2 — CID 104656196

IUPAC2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H17ClO2/c1-4-5-8-13(2,15)10-6-7-11(14)12(9-10)16-3/h4,6-7,9,15H,1,5,8H2,2-3H3
InChIKeyXBKNJEXSVUOFOB-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol

2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol (PubChem CID 104656196) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
PubChem CID104656196
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H17ClO2/c1-4-5-8-13(2,15)10-6-7-11(14)12(9-10)16-3/h4,6-7,9,15H,1,5,8H2,2-3H3
InChIKeyXBKNJEXSVUOFOB-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350
4-(4-chloro-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
CID 174466804
ethyl (E)-4-(4-chloro-3-methoxyphenyl)-4-methylpent-2-enoate
CID 86599925
1-bromo-3-(4-chloro-3-methoxyphenyl)-3-methylbutan-2-one
CID 88578697
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
1-(3,5-dichloropyridin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 144638569
3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanal
CID 142387180
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol (CID 104656196) is 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol is C=CCCC(C)(O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol?
The InChIKey is XBKNJEXSVUOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-4-5-8-13(2,15)10-6-7-11(14)12(9-10)16-3/h4,6-7,9,15H,1,5,8H2,2-3H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol?
2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol has a molecular weight of 240.73 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol is sourced from PubChem (CID 104656196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).