(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol

C11H11ClO — CID 142112185

IUPAC(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol
SMILESC/C=C/C=C(\O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2-8,13H,1H3/b3-2+,11-4-
InChIKeyBVDXLDIXGSRPQM-ICKRUQPGSA-N
MW194.66 g/mol
LogP3.82
Rot. Bonds2

About (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol

(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol (PubChem CID 142112185) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol
PubChem CID142112185
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol
SMILESC/C=C/C=C(\O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2-8,13H,1H3/b3-2+,11-4-
InChIKeyBVDXLDIXGSRPQM-ICKRUQPGSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3E)-1-(4-chlorophenyl)-4-(2,6-ditert-butylpyrylium-4-yl)buta-1,3-dien-1-ol
CID 137292672
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
(2E)-5,5-bis(4-chlorophenyl)penta-2,4-dienoic acid
CID 14347245
methyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate;hydrate
CID 45047648
3-(4-chlorophenyl)but-2-enal
CID 74343436
1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
CID 12881547
4-chloro(13C)benzoic acid
CID 66995527
4-chlorobenzoic acid;fluoromethane
CID 174932068
3-(4-chlorophenyl)but-2-enoic acid
CID 54307451
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol?
The IUPAC name of (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol (CID 142112185) is (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol.
What is the SMILES notation for (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol?
The canonical SMILES for (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol is C/C=C/C=C(\O)c1ccc(Cl)cc1.
What is the InChIKey of (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol?
The InChIKey is BVDXLDIXGSRPQM-ICKRUQPGSA-N. The full InChI is InChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2-8,13H,1H3/b3-2+,11-4-.
What are the key properties of (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol?
(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol has a molecular weight of 194.66 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol is sourced from PubChem (CID 142112185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).