4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol

C19H22O — CID 169239333

IUPAC4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol
SMILESCCC/C=C(/c1ccc(O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H22O/c1-4-5-6-19(16-8-10-17(20)11-9-16)18-12-7-14(2)13-15(18)3/h6-13,20H,4-5H2,1-3H3/b19-6-
InChIKeyOWEVHKOSAQMLMT-SWNXQHNESA-N
MW266.38 g/mol
LogP5.24
Rot. Bonds4

About 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol

4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol (PubChem CID 169239333) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol
PubChem CID169239333
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol
SMILESCCC/C=C(/c1ccc(O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H22O/c1-4-5-6-19(16-8-10-17(20)11-9-16)18-12-7-14(2)13-15(18)3/h6-13,20H,4-5H2,1-3H3/b19-6-
InChIKeyOWEVHKOSAQMLMT-SWNXQHNESA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol (CID 169239333) is 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol is CCC/C=C(/c1ccc(O)cc1)c1ccc(C)cc1C.
What is the InChIKey of 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol?
The InChIKey is OWEVHKOSAQMLMT-SWNXQHNESA-N. The full InChI is InChI=1S/C19H22O/c1-4-5-6-19(16-8-10-17(20)11-9-16)18-12-7-14(2)13-15(18)3/h6-13,20H,4-5H2,1-3H3/b19-6-.
What are the key properties of 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol?
4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol has a molecular weight of 266.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 169239333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).