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

C9H14O3 — CID 141075410

IUPAC(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC=CC1(CO)OC
InChIInChI=1S/C9H14O3/c1-11-8-5-3-4-6-9(8,7-10)12-2/h3-6,8,10H,7H2,1-2H3
InChIKeyHDDIBCVKFYYKDK-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.50
Rot. Bonds3

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

(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol (PubChem CID 141075410) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol
PubChem CID141075410
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC=CC1(CO)OC
InChIInChI=1S/C9H14O3/c1-11-8-5-3-4-6-9(8,7-10)12-2/h3-6,8,10H,7H2,1-2H3
InChIKeyHDDIBCVKFYYKDK-UHFFFAOYSA-N
XLogP0.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol (CID 141075410) is (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol is COC1C=CC=CC1(CO)OC.
What is the InChIKey of (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is HDDIBCVKFYYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8-5-3-4-6-9(8,7-10)12-2/h3-6,8,10H,7H2,1-2H3.
What are the key properties of (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 170.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethoxycyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 141075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).