4-(4-methylphenyl)hepta-1,6-dien-4-ol

C14H18O — CID 12982478

IUPAC4-(4-methylphenyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-10-14(15,11-5-2)13-8-6-12(3)7-9-13/h4-9,15H,1-2,10-11H2,3H3
InChIKeyXXOSKYBIXDYLCR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds5

About 4-(4-methylphenyl)hepta-1,6-dien-4-ol

4-(4-methylphenyl)hepta-1,6-dien-4-ol (PubChem CID 12982478) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(4-methylphenyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)hepta-1,6-dien-4-ol
PubChem CID12982478
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-(4-methylphenyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-10-14(15,11-5-2)13-8-6-12(3)7-9-13/h4-9,15H,1-2,10-11H2,3H3
InChIKeyXXOSKYBIXDYLCR-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-3-(4-methylphenyl)hex-5-enedithioate
CID 102498190
1,1-bis(4-methylphenyl)prop-2-en-1-ol
CID 117063352
2-(4-chlorophenyl)pent-4-ene-1,2-diol
CID 10512745
1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
CID 102472331
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
CID 145272327
[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
CID 10777371
3-[2,3-dihydroxy-2-(4-methylphenyl)propoxy]-2-(4-methylphenyl)propane-1,2-diol
CID 139706960
1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
CID 20825972
2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane
CID 14357750
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(4-methylphenyl)hepta-1,6-dien-4-ol (CID 12982478) is 4-(4-methylphenyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(4-methylphenyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(4-methylphenyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)hepta-1,6-dien-4-ol?
The InChIKey is XXOSKYBIXDYLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-10-14(15,11-5-2)13-8-6-12(3)7-9-13/h4-9,15H,1-2,10-11H2,3H3.
What are the key properties of 4-(4-methylphenyl)hepta-1,6-dien-4-ol?
4-(4-methylphenyl)hepta-1,6-dien-4-ol has a molecular weight of 202.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 12982478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).