(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol

C9H14O2 — CID 67717823

IUPAC(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CC=CC(C)(CO)C1
InChIInChI=1S/C9H14O2/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5,10H,6-7H2,1-2H3
InChIKeyXFPUJPFSZRCMPK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds2

About (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol

(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 67717823) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID67717823
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CC=CC(C)(CO)C1
InChIInChI=1S/C9H14O2/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5,10H,6-7H2,1-2H3
InChIKeyXFPUJPFSZRCMPK-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 (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol (CID 67717823) is (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol is COC1=CC=CC(C)(CO)C1.
What is the InChIKey of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is XFPUJPFSZRCMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(7-10)5-3-4-8(6-9)11-2/h3-5,10H,6-7H2,1-2H3.
What are the key properties of (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol?
(5-methoxy-1-methylcyclohexa-2,4-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 (5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 67717823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).