1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene

C19H22O — CID 11346163

IUPAC1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
SMILESCc1cc(C)c(C/C=C/OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22O/c1-15-12-16(2)19(17(3)13-15)10-7-11-20-14-18-8-5-4-6-9-18/h4-9,11-13H,10,14H2,1-3H3/b11-7+
InChIKeyUWLBVNBWLJEDOA-YRNVUSSQSA-N
MW266.38 g/mol
LogP4.88
Rot. Bonds5

About 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene

1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene (PubChem CID 11346163) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
PubChem CID11346163
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
SMILESCc1cc(C)c(C/C=C/OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22O/c1-15-12-16(2)19(17(3)13-15)10-7-11-20-14-18-8-5-4-6-9-18/h4-9,11-13H,10,14H2,1-3H3/b11-7+
InChIKeyUWLBVNBWLJEDOA-YRNVUSSQSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxyprop-2-enylsilane
CID 173015897
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
CID 11346154
2-(3-phenylmethoxyprop-2-enyl)oxirane
CID 91184163
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 163442427
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
ethane;ethenoxymethylbenzene
CID 144676673
1,1,1-trifluoro-5-phenylmethoxypent-4-en-2-ol
CID 57246674

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene (CID 11346163) is 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene is Cc1cc(C)c(C/C=C/OCc2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene?
The InChIKey is UWLBVNBWLJEDOA-YRNVUSSQSA-N. The full InChI is InChI=1S/C19H22O/c1-15-12-16(2)19(17(3)13-15)10-7-11-20-14-18-8-5-4-6-9-18/h4-9,11-13H,10,14H2,1-3H3/b11-7+.
What are the key properties of 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene?
1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene is sourced from PubChem (CID 11346163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).