(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol

C9H14O3 — CID 148758431

IUPAC(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=C(OC)CC(CO)C=C1
InChIInChI=1S/C9H14O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-4,7,10H,5-6H2,1-2H3
InChIKeyOGBIVWQUOWNFTA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.06
Rot. Bonds3

About (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol

(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol (PubChem CID 148758431) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol
PubChem CID148758431
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=C(OC)CC(CO)C=C1
InChIInChI=1S/C9H14O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-4,7,10H,5-6H2,1-2H3
InChIKeyOGBIVWQUOWNFTA-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol (CID 148758431) is (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol is COC1=C(OC)CC(CO)C=C1.
What is the InChIKey of (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is OGBIVWQUOWNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol?
(4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 170.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxycyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 148758431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).