(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol

C16H23ClO — CID 134318703

IUPAC(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
SMILESCCCC/C(CO)=C(\CCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClO/c1-3-5-7-14(12-18)16(6-4-2)13-8-10-15(17)11-9-13/h8-11,18H,3-7,12H2,1-2H3/b16-14-
InChIKeyFLBYTOMXWWZVFK-PEZBUJJGSA-N
MW266.81 g/mol
LogP5.08
Rot. Bonds7

About (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol

(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol (PubChem CID 134318703) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
PubChem CID134318703
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
SMILESCCCC/C(CO)=C(\CCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClO/c1-3-5-7-14(12-18)16(6-4-2)13-8-10-15(17)11-9-13/h8-11,18H,3-7,12H2,1-2H3/b16-14-
InChIKeyFLBYTOMXWWZVFK-PEZBUJJGSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
CID 143850476
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1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
5-[1-(4-chlorophenyl)pentylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 86234246
2-[2-(4-chlorophenyl)prop-1-enylidene]hexanoic acid
CID 176521132
(4-chlorophenyl) pentanoate
CID 532709
1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol
CID 154220297
1-chloro-4-methylbenzene;pentane
CID 142041532
3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole
CID 167255499
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023
2-[chloro-(4-chlorophenyl)methylidene]pentanal
CID 3019219

Frequently Asked Questions

What is the IUPAC name of (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol?
The IUPAC name of (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol (CID 134318703) is (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol.
What is the SMILES notation for (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol?
The canonical SMILES for (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol is CCCC/C(CO)=C(\CCC)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol?
The InChIKey is FLBYTOMXWWZVFK-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H23ClO/c1-3-5-7-14(12-18)16(6-4-2)13-8-10-15(17)11-9-13/h8-11,18H,3-7,12H2,1-2H3/b16-14-.
What are the key properties of (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol?
(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol has a molecular weight of 266.81 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol is sourced from PubChem (CID 134318703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).