(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol

C14H16O — CID 143644627

IUPAC(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
SMILESC=C/C=C\C(=C/CO)c1ccc(C)cc1
InChIInChI=1S/C14H16O/c1-3-4-5-13(10-11-15)14-8-6-12(2)7-9-14/h3-10,15H,1,11H2,2H3/b5-4-,13-10+
InChIKeyQNNPNYPRUJKZOK-GNPUEAEQSA-N
MW200.28 g/mol
LogP3.11
Rot. Bonds4

About (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol

(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol (PubChem CID 143644627) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
PubChem CID143644627
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
SMILESC=C/C=C\C(=C/CO)c1ccc(C)cc1
InChIInChI=1S/C14H16O/c1-3-4-5-13(10-11-15)14-8-6-12(2)7-9-14/h3-10,15H,1,11H2,2H3/b5-4-,13-10+
InChIKeyQNNPNYPRUJKZOK-GNPUEAEQSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.11
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

ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
CID 143170529
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
1-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol
CID 115017596
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005
1-[(1E,4Z,5Z)-4-ethylidene-1-iodo-2-methylocta-1,5,7-trienyl]-4-methylbenzene
CID 118399077
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
CID 90434181

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol?
The IUPAC name of (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol (CID 143644627) is (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol?
The canonical SMILES for (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol is C=C/C=C\C(=C/CO)c1ccc(C)cc1.
What is the InChIKey of (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol?
The InChIKey is QNNPNYPRUJKZOK-GNPUEAEQSA-N. The full InChI is InChI=1S/C14H16O/c1-3-4-5-13(10-11-15)14-8-6-12(2)7-9-14/h3-10,15H,1,11H2,2H3/b5-4-,13-10+.
What are the key properties of (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol?
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol is sourced from PubChem (CID 143644627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).