2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol

C11H18O2 — CID 121223424

IUPAC2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=C(C)CC(C)(CCO)C=C1
InChIInChI=1S/C11H18O2/c1-9-8-11(2,6-7-12)5-4-10(9)13-3/h4-5,12H,6-8H2,1-3H3
InChIKeyMWCBRERNLRUKCD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol

2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 121223424) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID121223424
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=C(C)CC(C)(CCO)C=C1
InChIInChI=1S/C11H18O2/c1-9-8-11(2,6-7-12)5-4-10(9)13-3/h4-5,12H,6-8H2,1-3H3
InChIKeyMWCBRERNLRUKCD-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol with MolForge

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Related Compounds

2-[(Z)-[(2E)-2-ethylidene-4,4-dimethyloxan-3-ylidene]methyl]prop-2-en-1-ol
CID 144087433
3-(3-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)propan-1-ol
CID 149055219
4-Tert-butyl-2,4-bis(hydroxymethyl)cyclohexa-1,5-dien-1-ol
CID 139433033
(1S,5S)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 11062798
(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
CID 11333059
2-Methoxy-4-propyl-(4-propylguaiacol)
CID 129865681
(5Z)-12-methoxy-9-methylbicyclo[7.3.1]trideca-1(12),5,10-trien-3,7-diyn-2-ol
CID 134976457
(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 102305765
1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol
CID 57166520
(E,3E)-3-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-1-ene-1,3-diol
CID 58260142
2-Methoxy-4-(3-methylpent-1-en-3-yl)cyclohexa-1,3-dien-1-ol
CID 68251930
3-Butyl-2,3-dimethylcyclohexa-1,5-diene-1,4-diol
CID 69261623

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol (CID 121223424) is 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol is COC1=C(C)CC(C)(CCO)C=C1.
What is the InChIKey of 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is MWCBRERNLRUKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-8-11(2,6-7-12)5-4-10(9)13-3/h4-5,12H,6-8H2,1-3H3.
What are the key properties of 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 182.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 121223424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).