(E)-4-(4-chlorophenyl)but-3-en-2-ol

C10H11ClO — CID 11019514

IUPAC(E)-4-(4-chlorophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+
InChIKeyFBQMXUBIFKPRNV-NSCUHMNNSA-N
MW182.65 g/mol
LogP2.73
Rot. Bonds2

About (E)-4-(4-chlorophenyl)but-3-en-2-ol

(E)-4-(4-chlorophenyl)but-3-en-2-ol (PubChem CID 11019514) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)but-3-en-2-ol
PubChem CID11019514
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name(E)-4-(4-chlorophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+
InChIKeyFBQMXUBIFKPRNV-NSCUHMNNSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
4-(4-tert-butylphenyl)but-3-en-2-ol
CID 139612527
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
methyl 4-[(E,3S)-3-hydroxybut-1-enyl]benzoate
CID 177480550
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285128

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(4-chlorophenyl)but-3-en-2-ol (CID 11019514) is (E)-4-(4-chlorophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-chlorophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(4-chlorophenyl)but-3-en-2-ol is CC(O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)but-3-en-2-ol?
The InChIKey is FBQMXUBIFKPRNV-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+.
What are the key properties of (E)-4-(4-chlorophenyl)but-3-en-2-ol?
(E)-4-(4-chlorophenyl)but-3-en-2-ol has a molecular weight of 182.65 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)but-3-en-2-ol is sourced from PubChem (CID 11019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).