2-methoxy-5-methylcyclohexa-2,4-dien-1-ol

C8H12O2 — CID 67561399

IUPAC2-methoxy-5-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=C(C)CC1O
InChIInChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-4,7,9H,5H2,1-2H3
InChIKeyWQRPWVBFIDWMBQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds1

About 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol

2-methoxy-5-methylcyclohexa-2,4-dien-1-ol (PubChem CID 67561399) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-5-methylcyclohexa-2,4-dien-1-ol
PubChem CID67561399
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methoxy-5-methylcyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=C(C)CC1O
InChIInChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-4,7,9H,5H2,1-2H3
InChIKeyWQRPWVBFIDWMBQ-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol (CID 67561399) is 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol is COC1=CC=C(C)CC1O.
What is the InChIKey of 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is WQRPWVBFIDWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-8(10-2)7(9)5-6/h3-4,7,9H,5H2,1-2H3.
What are the key properties of 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol?
2-methoxy-5-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67561399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).