1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene

C13H14O — CID 18770062

IUPAC1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
SMILESCOc1ccccc1C1=CCCC=C1
InChIInChI=1S/C13H14O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h3,5-10H,2,4H2,1H3
InChIKeyMBDANEUTBSAMAI-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.43
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene

1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene (PubChem CID 18770062) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
PubChem CID18770062
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
SMILESCOc1ccccc1C1=CCCC=C1
InChIInChI=1S/C13H14O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h3,5-10H,2,4H2,1H3
InChIKeyMBDANEUTBSAMAI-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144597097
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CID 166988175
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
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cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
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CID 143475176
3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane
CID 153350231
4-(2,3-dimethoxyphenyl)cyclohexa-2,4-diene-1,1-diamine
CID 174541769
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
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2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
CID 10968300
CID 10968300

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene (CID 18770062) is 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene is COc1ccccc1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene?
The InChIKey is MBDANEUTBSAMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h3,5-10H,2,4H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene?
1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene has a molecular weight of 186.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene is sourced from PubChem (CID 18770062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).