3-(2-methoxyphenyl)cyclohepta-1,3,5-triene

C14H14O — CID 144597097

IUPAC3-(2-methoxyphenyl)cyclohepta-1,3,5-triene
SMILESCOc1ccccc1C1=CC=CCC=C1
InChIInChI=1S/C14H14O/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2,4-11H,3H2,1H3
InChIKeyJFYWNVQSKDPJMV-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.59
Rot. Bonds2

About 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene

3-(2-methoxyphenyl)cyclohepta-1,3,5-triene (PubChem CID 144597097) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(2-methoxyphenyl)cyclohepta-1,3,5-triene
PubChem CID144597097
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name3-(2-methoxyphenyl)cyclohepta-1,3,5-triene
SMILESCOc1ccccc1C1=CC=CCC=C1
InChIInChI=1S/C14H14O/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2,4-11H,3H2,1H3
InChIKeyJFYWNVQSKDPJMV-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(cyclopenta-1,3-diene);1,2-dimethoxybenzene
CID 170157168
1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
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2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
CID 134887264
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
3-(2-methoxyphenyl)-2H-pyran
CID 173143980
2-[[3-[4-cyclohepta-1,3,6-trien-1-yl-6-(2-methylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]methoxy]aniline
CID 135245144
2-[3-[4-(2-methoxyphenyl)cyclohepta-1,3,5-trien-1-yl]propanoylamino]benzoic acid
CID 143234359
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
CID 10968300
CID 10968300
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene (CID 144597097) is 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene is COc1ccccc1C1=CC=CCC=C1.
What is the InChIKey of 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene?
The InChIKey is JFYWNVQSKDPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2,4-11H,3H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene?
3-(2-methoxyphenyl)cyclohepta-1,3,5-triene has a molecular weight of 198.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 144597097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).