(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol

C9H14O2 — CID 12679842

IUPAC(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CCC(C)(CO)C=C1
InChIInChI=1S/C9H14O2/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5,10H,6-7H2,1-2H3
InChIKeyFJPCMXRAVKRUAP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds2

About (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol

(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 12679842) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID12679842
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CCC(C)(CO)C=C1
InChIInChI=1S/C9H14O2/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5,10H,6-7H2,1-2H3
InChIKeyFJPCMXRAVKRUAP-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methoxy-1-methylcyclohexa-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

1-(6-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 163789143
(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
CID 14983107
(e)-4-(3',4',1-Trimethoxyphenyl)but-3-en-1-ol
CID 129864217
(E)-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 134993306
4-Methoxy-1-methylcyclohexa-2,4-dien-1-ol
CID 15814903
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-ol
CID 21257311
5-Methoxy-5-methylcyclohexa-1,3-dien-1-ol
CID 53411170
m-Methoxy-1-methyl-benzyl alcohol
CID 67717823
3-Methyl-3-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 68009117
2,6-Bis(hydroxymethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 68643427
(1,5-Dimethoxycyclohexa-2,4-dien-1-yl)methanol
CID 69975536
(5-Chloro-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70066458

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol (CID 12679842) is (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol is COC1=CCC(C)(CO)C=C1.
What is the InChIKey of (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is FJPCMXRAVKRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5,10H,6-7H2,1-2H3.
What are the key properties of (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 12679842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).