(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol

C9H14O2 — CID 89192081

IUPAC(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CCC(C)C(CO)=C1
InChIInChI=1S/C9H14O2/c1-7-3-4-9(11-2)5-8(7)6-10/h4-5,7,10H,3,6H2,1-2H3
InChIKeyYKIDFWRGISKIPG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds2

About (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol

(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 89192081) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID89192081
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol
SMILESCOC1=CCC(C)C(CO)=C1
InChIInChI=1S/C9H14O2/c1-7-3-4-9(11-2)5-8(7)6-10/h4-5,7,10H,3,6H2,1-2H3
InChIKeyYKIDFWRGISKIPG-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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol (CID 89192081) is (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol is COC1=CCC(C)C(CO)=C1.
What is the InChIKey of (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is YKIDFWRGISKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-3-4-9(11-2)5-8(7)6-10/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol?
(3-methoxy-6-methylcyclohexa-1,3-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 (3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 89192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).