(6-methoxycyclohexa-2,4-dien-1-yl)methanol

C8H12O2 — CID 146644669

IUPAC(6-methoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC=CC1CO
InChIInChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,7-9H,6H2,1H3
InChIKeyIYLUKBINZIGHIM-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.74
Rot. Bonds2

About (6-methoxycyclohexa-2,4-dien-1-yl)methanol

(6-methoxycyclohexa-2,4-dien-1-yl)methanol (PubChem CID 146644669) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (6-methoxycyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-methoxycyclohexa-2,4-dien-1-yl)methanol
PubChem CID146644669
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(6-methoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC=CC1CO
InChIInChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,7-9H,6H2,1H3
InChIKeyIYLUKBINZIGHIM-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 118124509
ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 145169284
(6-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 123160628
[(1S,6R)-6-(methoxycarbonyloxymethyl)cyclohexa-2,4-dien-1-yl]methyl methyl carbonate
CID 102174480
[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
CID 102401861
[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
CID 100953549
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 172645646
5,6-diethylcyclohexa-1,3-diene
CID 556515
5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 142855275
CID 59824719
CID 59824719
methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
CID 130128914

Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-methoxycyclohexa-2,4-dien-1-yl)methanol (CID 146644669) is (6-methoxycyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-methoxycyclohexa-2,4-dien-1-yl)methanol is COC1C=CC=CC1CO.
What is the InChIKey of (6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is IYLUKBINZIGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,7-9H,6H2,1H3.
What are the key properties of (6-methoxycyclohexa-2,4-dien-1-yl)methanol?
(6-methoxycyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 140.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 146644669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).