2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C22H19ClO — CID 88755430

IUPAC2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.Oc1ccccc1Cl
InChIInChI=1S/C16H14.C6H5ClO/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;7-5-3-1-2-4-6(5)8/h1-14H;1-4,8H/b13-7+,14-8+;
InChIKeyWXGKGOHOAWWCFP-IOJPAMHKSA-N
MW334.85 g/mol
LogP6.46
Rot. Bonds3

About 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 88755430) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID88755430
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.Oc1ccccc1Cl
InChIInChI=1S/C16H14.C6H5ClO/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;7-5-3-1-2-4-6(5)8/h1-14H;1-4,8H/b13-7+,14-8+;
InChIKeyWXGKGOHOAWWCFP-IOJPAMHKSA-N
XLogP6.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
bis(2-chlorophenol);tungsten
CID 88625581
2-chloro-5-(2-phenylethenyl)phenol
CID 174326276
carbonic acid;2-chlorophenol
CID 163958261
1,1'-biphenyl;2-chlorophenol
CID 174555563
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546
CID 11087023
CID 11087023
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581

Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 88755430) is 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C/c1ccccc1)=C\c1ccccc1.Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is WXGKGOHOAWWCFP-IOJPAMHKSA-N. The full InChI is InChI=1S/C16H14.C6H5ClO/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;7-5-3-1-2-4-6(5)8/h1-14H;1-4,8H/b13-7+,14-8+;.
What are the key properties of 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 334.85 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 88755430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).