7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene

C17H20O — CID 148559000

IUPAC7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
SMILESCCOCC1(C)C=CC=C(c2ccccc2)C=C1
InChIInChI=1S/C17H20O/c1-3-18-14-17(2)12-7-10-16(11-13-17)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3
InChIKeyMUPYNNYZCMIPLO-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.24
Rot. Bonds4

About 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene

7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene (PubChem CID 148559000) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
PubChem CID148559000
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
SMILESCCOCC1(C)C=CC=C(c2ccccc2)C=C1
InChIInChI=1S/C17H20O/c1-3-18-14-17(2)12-7-10-16(11-13-17)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3
InChIKeyMUPYNNYZCMIPLO-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
CID 145162638
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
CID 146580162
cyclobutadienylbenzene
CID 86042442
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
CID 138481842
7-methyl-7-[4-[(4R)-4-methylcyclohepta-1,6-dien-1-yl]cyclohepta-3,5-dien-1-yl]-3-phenylcyclohepta-1,3,5-triene
CID 171619886
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
CID 138481846
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 140580358
6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one
CID 11470178

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene?
The IUPAC name of 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene (CID 148559000) is 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene is CCOCC1(C)C=CC=C(c2ccccc2)C=C1.
What is the InChIKey of 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene?
The InChIKey is MUPYNNYZCMIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-18-14-17(2)12-7-10-16(11-13-17)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3.
What are the key properties of 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene?
7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene has a molecular weight of 240.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 148559000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).