2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol

C10H16O2 — CID 155459470

IUPAC2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCOCC(O)C1=CC(C)CC=C1
InChIInChI=1S/C10H16O2/c1-8-4-3-5-9(6-8)10(11)7-12-2/h3,5-6,8,10-11H,4,7H2,1-2H3
InChIKeyNIZXINAPFZPZQA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds3

About 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol

2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 155459470) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
PubChem CID155459470
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCOCC(O)C1=CC(C)CC=C1
InChIInChI=1S/C10H16O2/c1-8-4-3-5-9(6-8)10(11)7-12-2/h3,5-6,8,10-11H,4,7H2,1-2H3
InChIKeyNIZXINAPFZPZQA-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol (CID 155459470) is 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol is COCC(O)C1=CC(C)CC=C1.
What is the InChIKey of 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is NIZXINAPFZPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-3-5-9(6-8)10(11)7-12-2/h3,5-6,8,10-11H,4,7H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol?
2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 155459470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).