methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol

C9H14O3 — CID 89339403

IUPACmethoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CC=C(C(O)OC)CC1
InChIInChI=1S/C9H14O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3,5,9-10H,4,6H2,1-2H3
InChIKeyWBPVTYVKTKQODZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.20
Rot. Bonds3

About methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol

methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol (PubChem CID 89339403) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Namemethoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol
PubChem CID89339403
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CC=C(C(O)OC)CC1
InChIInChI=1S/C9H14O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3,5,9-10H,4,6H2,1-2H3
InChIKeyWBPVTYVKTKQODZ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol (CID 89339403) is methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol is COC1=CC=C(C(O)OC)CC1.
What is the InChIKey of methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is WBPVTYVKTKQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3,5,9-10H,4,6H2,1-2H3.
What are the key properties of methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol?
methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 170.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(4-methoxycyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 89339403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).