(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol

C11H13ClO — CID 14870787

IUPAC(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3/t8-,11-/m1/s1
InChIKeyUUZUQJOJASRJBK-LDYMZIIASA-N
MW196.68 g/mol
LogP3.20
Rot. Bonds3

About (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol

(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol (PubChem CID 14870787) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
PubChem CID14870787
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3/t8-,11-/m1/s1
InChIKeyUUZUQJOJASRJBK-LDYMZIIASA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.20
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

1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
1-(3-aminophenyl)-2-methylbut-3-en-1-ol
CID 142652778
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
CID 101161126

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol?
The IUPAC name of (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol (CID 14870787) is (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol?
The canonical SMILES for (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol is C=C[C@@H](C)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol?
The InChIKey is UUZUQJOJASRJBK-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3/t8-,11-/m1/s1.
What are the key properties of (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol?
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol has a molecular weight of 196.68 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 14870787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).