1-(4-methoxyphenyl)hexa-1,5-dien-3-ol

C13H16O2 — CID 53401972

IUPAC1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C13H16O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,5-10,12,14H,1,4H2,2H3
InChIKeyNQZFURRAMALGHE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol

1-(4-methoxyphenyl)hexa-1,5-dien-3-ol (PubChem CID 53401972) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
PubChem CID53401972
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C13H16O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,5-10,12,14H,1,4H2,2H3
InChIKeyNQZFURRAMALGHE-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
CID 146163934
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol?
The IUPAC name of 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol (CID 53401972) is 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol?
The canonical SMILES for 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol is C=CCC(O)C=Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol?
The InChIKey is NQZFURRAMALGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,5-10,12,14H,1,4H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol?
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol has a molecular weight of 204.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 53401972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).