1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol

C9H14O2 — CID 173164220

IUPAC1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
SMILESCOCC(O)C1=CC=CCC1
InChIInChI=1S/C9H14O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-3,5,9-10H,4,6-7H2,1H3
InChIKeyDLQZHXXXNDEVTL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol

1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol (PubChem CID 173164220) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
PubChem CID173164220
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
SMILESCOCC(O)C1=CC=CCC1
InChIInChI=1S/C9H14O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-3,5,9-10H,4,6-7H2,1H3
InChIKeyDLQZHXXXNDEVTL-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 118601022
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
1-(2,2-dimethylpentan-3-yl)cyclohexa-1,3-diene;ethane
CID 172627544
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
N-benzyl-2-chloro-N-(2-cyclohexa-1,3-dien-1-yl-3-hydroxy-4-propoxybutyl)acetamide
CID 67113834
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
1-cyclohexa-1,3-dien-1-yl-2-iminoethanamine
CID 89154070
1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene
CID 163877392
benzene;2-methoxy-1-phenylethanol
CID 174622919
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
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CID 20800715

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol (CID 173164220) is 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol is COCC(O)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol?
The InChIKey is DLQZHXXXNDEVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-3,5,9-10H,4,6-7H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol?
1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol is sourced from PubChem (CID 173164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).