1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene

C15H18O2 — CID 173189813

IUPAC1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
SMILESCCOc1cccc(C2=CC(OC)=CCC2)c1
InChIInChI=1S/C15H18O2/c1-3-17-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h5,7-11H,3-4,6H2,1-2H3
InChIKeyRLUZVXKXFZWYMC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.79
Rot. Bonds4

About 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene

1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene (PubChem CID 173189813) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
PubChem CID173189813
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
SMILESCCOc1cccc(C2=CC(OC)=CCC2)c1
InChIInChI=1S/C15H18O2/c1-3-17-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h5,7-11H,3-4,6H2,1-2H3
InChIKeyRLUZVXKXFZWYMC-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
CID 22415210
1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene
CID 142234255
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
2-(3-ethoxyphenyl)aniline
CID 57482711
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
1-bromo-2-methyl-4-(3-phenoxycyclohexa-1,3-dien-1-yl)benzene
CID 173119334
3-(3-ethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603836
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
CID 67868072
CID 88533014
CID 88533014
[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]methanol
CID 142337656
methyl 2-[[4-[4-(3-ethoxyphenyl)-3-methoxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate
CID 18379552
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene (CID 173189813) is 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene is CCOc1cccc(C2=CC(OC)=CCC2)c1.
What is the InChIKey of 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is RLUZVXKXFZWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-17-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h5,7-11H,3-4,6H2,1-2H3.
What are the key properties of 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene?
1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 230.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 173189813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).