(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol

C14H16O2 — CID 163226507

IUPAC(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol
SMILESCOCc1ccc(/C=C\C=C/C=C/O)cc1
InChIInChI=1S/C14H16O2/c1-16-12-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-11,15H,12H2,1H3/b3-2-,6-4-,11-5+
InChIKeyWMXBQXLUHCDEME-ZEVBANKVSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds5

About (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol

(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol (PubChem CID 163226507) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol
PubChem CID163226507
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol
SMILESCOCc1ccc(/C=C\C=C/C=C/O)cc1
InChIInChI=1S/C14H16O2/c1-16-12-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-11,15H,12H2,1H3/b3-2-,6-4-,11-5+
InChIKeyWMXBQXLUHCDEME-ZEVBANKVSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
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(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
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1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
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N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
(1E,3Z,5Z)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hexa-1,3,5-trien-1-ol
CID 177157847

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol?
The IUPAC name of (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol (CID 163226507) is (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol is COCc1ccc(/C=C\C=C/C=C/O)cc1.
What is the InChIKey of (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol?
The InChIKey is WMXBQXLUHCDEME-ZEVBANKVSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-12-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-11,15H,12H2,1H3/b3-2-,6-4-,11-5+.
What are the key properties of (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol?
(1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol has a molecular weight of 216.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-6-[4-(methoxymethyl)phenyl]hexa-1,3,5-trien-1-ol is sourced from PubChem (CID 163226507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).