1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene

C15H18O — CID 90876959

IUPAC1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene
SMILESCCOc1ccc(CC2C=CC=CC2)cc1
InChIInChI=1S/C15H18O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyJDCDMMQYWMXMCL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.76
Rot. Bonds4

About 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene

1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene (PubChem CID 90876959) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene
PubChem CID90876959
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene
SMILESCCOc1ccc(CC2C=CC=CC2)cc1
InChIInChI=1S/C15H18O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyJDCDMMQYWMXMCL-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 134391078
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
2-[(4-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 82185878
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2296042
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene (CID 90876959) is 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene is CCOc1ccc(CC2C=CC=CC2)cc1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene?
The InChIKey is JDCDMMQYWMXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-6,8-11,13H,2,7,12H2,1H3.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene?
1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene has a molecular weight of 214.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylmethyl)-4-ethoxybenzene is sourced from PubChem (CID 90876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).