(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol

C10H16O4 — CID 70822839

IUPAC(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CC(OC)=C(CO)C(OC)C1
InChIInChI=1S/C10H16O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4,10-11H,5-6H2,1-3H3
InChIKeyFLEDRHKKNDXGMS-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.83
Rot. Bonds4

About (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol

(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol (PubChem CID 70822839) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol
PubChem CID70822839
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CC(OC)=C(CO)C(OC)C1
InChIInChI=1S/C10H16O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4,10-11H,5-6H2,1-3H3
InChIKeyFLEDRHKKNDXGMS-UHFFFAOYSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol (CID 70822839) is (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol is COC1=CC(OC)=C(CO)C(OC)C1.
What is the InChIKey of (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is FLEDRHKKNDXGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4,10-11H,5-6H2,1-3H3.
What are the key properties of (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol?
(2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 200.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethoxycyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 70822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).