1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene

C16H20O2 — CID 143140381

IUPAC1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
SMILESC=C/C(=C\C(C)=C/C)OCc1ccc(OC)cc1
InChIInChI=1S/C16H20O2/c1-5-13(3)11-15(6-2)18-12-14-7-9-16(17-4)10-8-14/h5-11H,2,12H2,1,3-4H3/b13-5-,15-11+
InChIKeyOQYSASCTXHRSNY-BHRUMUSRSA-N
MW244.33 g/mol
LogP4.25
Rot. Bonds6

About 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene

1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene (PubChem CID 143140381) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
PubChem CID143140381
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
SMILESC=C/C(=C\C(C)=C/C)OCc1ccc(OC)cc1
InChIInChI=1S/C16H20O2/c1-5-13(3)11-15(6-2)18-12-14-7-9-16(17-4)10-8-14/h5-11H,2,12H2,1,3-4H3/b13-5-,15-11+
InChIKeyOQYSASCTXHRSNY-BHRUMUSRSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
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

4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzonitrile
CID 143140604
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine
CID 121405286
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate
CID 71347951
N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
CID 177306579
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene (CID 143140381) is 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene is C=C/C(=C\C(C)=C/C)OCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene?
The InChIKey is OQYSASCTXHRSNY-BHRUMUSRSA-N. The full InChI is InChI=1S/C16H20O2/c1-5-13(3)11-15(6-2)18-12-14-7-9-16(17-4)10-8-14/h5-11H,2,12H2,1,3-4H3/b13-5-,15-11+.
What are the key properties of 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene?
1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene has a molecular weight of 244.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene is sourced from PubChem (CID 143140381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).