3-methoxy-4-methylcyclohexa-1,3-dien-1-ol

C8H12O2 — CID 142915998

IUPAC3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(9)5-8(6)10-2/h5,9H,3-4H2,1-2H3
InChIKeyJKWADZLVEQOQRN-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.14
Rot. Bonds1

About 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol

3-methoxy-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 142915998) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID142915998
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(9)5-8(6)10-2/h5,9H,3-4H2,1-2H3
InChIKeyJKWADZLVEQOQRN-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol (CID 142915998) is 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol is COC1=C(C)CCC(O)=C1.
What is the InChIKey of 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is JKWADZLVEQOQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(9)5-8(6)10-2/h5,9H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
3-methoxy-4-methylcyclohexa-1,3-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 3-methoxy-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142915998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).