5-methoxy-2-methylcyclohexa-1,5-dien-1-ol

C8H12O2 — CID 144501900

IUPAC5-methoxy-2-methylcyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(O)=C(C)CC1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5,9H,3-4H2,1-2H3
InChIKeyBTLMNOXHQUCTNX-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.14
Rot. Bonds1

About 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol

5-methoxy-2-methylcyclohexa-1,5-dien-1-ol (PubChem CID 144501900) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-methoxy-2-methylcyclohexa-1,5-dien-1-ol
PubChem CID144501900
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methoxy-2-methylcyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(O)=C(C)CC1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5,9H,3-4H2,1-2H3
InChIKeyBTLMNOXHQUCTNX-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144902473
5-Ethoxycyclohexa-1,5-dien-1-ol
CID 12735096
2-Methoxy-5-(3-methylbut-2-enyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 91440442
4-Methyl-6-hydroxy-1,8-dihydroisobenzofuran
CID 172432194
1,5-Dimethoxy-4-propylphenol
CID 177256531
1-Methoxy-2,4-dimethylcyclohexa-1,3-diene
CID 13418673
2-Methoxy-4-methylcyclohexa-1,3-dien-1-ol
CID 19350668
2-Methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol
CID 19350674
4-Methylcyclohexa-1,3-diene-1,2-diol
CID 20478676
4-Methylcyclohexa-1,3-diene-1,3-diol
CID 22507314

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol (CID 144501900) is 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol is COC1=CC(O)=C(C)CC1.
What is the InChIKey of 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is BTLMNOXHQUCTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5,9H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol?
5-methoxy-2-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 144501900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).