(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol

C18H19ClO — CID 122212959

IUPAC(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol
SMILESC/C(=C\[C@H](O)c1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C18H19ClO/c1-14(7-8-15-5-3-2-4-6-15)13-18(20)16-9-11-17(19)12-10-16/h2-6,9-13,18,20H,7-8H2,1H3/b14-13+/t18-/m0/s1
InChIKeyNXIHMIYZXJJDRA-JKGDOXCYSA-N
MW286.80 g/mol
LogP4.95
Rot. Bonds5

About (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol

(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol (PubChem CID 122212959) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol
PubChem CID122212959
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol
SMILESC/C(=C\[C@H](O)c1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C18H19ClO/c1-14(7-8-15-5-3-2-4-6-15)13-18(20)16-9-11-17(19)12-10-16/h2-6,9-13,18,20H,7-8H2,1H3/b14-13+/t18-/m0/s1
InChIKeyNXIHMIYZXJJDRA-JKGDOXCYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
CID 71428200
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
benzyl-[1-(4-chlorophenyl)ethyl]-dimethylazanium
CID 174544121
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
2-methyl-7-phenylhept-2-en-4-ol
CID 71663928
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol?
The IUPAC name of (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol (CID 122212959) is (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol?
The canonical SMILES for (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol is C/C(=C\[C@H](O)c1ccc(Cl)cc1)CCc1ccccc1.
What is the InChIKey of (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol?
The InChIKey is NXIHMIYZXJJDRA-JKGDOXCYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-14(7-8-15-5-3-2-4-6-15)13-18(20)16-9-11-17(19)12-10-16/h2-6,9-13,18,20H,7-8H2,1H3/b14-13+/t18-/m0/s1.
What are the key properties of (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol?
(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol has a molecular weight of 286.80 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol is sourced from PubChem (CID 122212959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).