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

C9H14O3 — CID 130399514

IUPAC[(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCO[C@@H]1C=CC=C[C@]1(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/t8-,9-/m1/s1
InChIKeyHDDIBCVKFYYKDK-RKDXNWHRSA-N
MW170.21 g/mol
LogP0.50
Rot. Bonds3

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

[(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol (PubChem CID 130399514) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
PubChem CID130399514
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCO[C@@H]1C=CC=C[C@]1(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/t8-,9-/m1/s1
InChIKeyHDDIBCVKFYYKDK-RKDXNWHRSA-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

Analyze [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 10534676
6-Methoxy-1-methyl-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 67546070
(3Ar,7ar)-2,2-dimethyl-1,3-benzodioxole-3a(7ah)-methanol
CID 10749936
[2H]-Guajacol
CID 12331600
(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)methanol
CID 12663004
6-Methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 20975719
Dihydro methyl eugenol
CID 67546071
1-Methylpyrogallol
CID 67650327
1,2-Dimethoxytoluene
CID 67729139
o-Ethylguaiacol
CID 70477137
(1R)-1-[(2R)-2-[(E)-prop-1-enyl]oxiran-2-yl]propan-1-ol
CID 102038736
m-Cresoloxide
CID 129830988

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol (CID 130399514) is [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol is CO[C@@H]1C=CC=C[C@]1(CO)OC.
What is the InChIKey of [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is HDDIBCVKFYYKDK-RKDXNWHRSA-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/t8-,9-/m1/s1.
What are the key properties of [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
[(1R,6R)-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 [(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 130399514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).