(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol

C11H16O2 — CID 163853574

IUPAC(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol
SMILESC=C1C(C)=CC=C(OCC)C1CO
InChIInChI=1S/C11H16O2/c1-4-13-11-6-5-8(2)9(3)10(11)7-12/h5-6,10,12H,3-4,7H2,1-2H3
InChIKeyOWKQOOWZFYMDJL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.03
Rot. Bonds3

About (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol

(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol (PubChem CID 163853574) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol
PubChem CID163853574
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol
SMILESC=C1C(C)=CC=C(OCC)C1CO
InChIInChI=1S/C11H16O2/c1-4-13-11-6-5-8(2)9(3)10(11)7-12/h5-6,10,12H,3-4,7H2,1-2H3
InChIKeyOWKQOOWZFYMDJL-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-diethyl-5-fluoro-6,7-dihydro-3H-1-benzofuran-7-yl)methanol
CID 117626233
(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol
CID 166671027
(5Z)-3-methoxy-2,4-dimethylocta-5,7-dien-1-ol
CID 60128513
2-(4,6-Dimethylcyclohexa-1,3-dien-1-yl)oxyethanol
CID 164115678
(2R,4R)-4-[(4S)-4-methylcyclohexen-1-yl]oxypentan-2-ol
CID 13584041
(2R,4R)-4-[(4R)-4-methylcyclohexen-1-yl]oxypentan-2-ol
CID 13584042
(2-Methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
CID 14446832
(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol
CID 71423337
(2R)-4-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-ol
CID 135025020
2-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]butan-1-ol
CID 162550543
(2S,3R,4S)-3-methoxy-2,4,6-trimethylhept-5-en-1-ol
CID 59678397
2,6-Bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 67477541

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol (CID 163853574) is (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol is C=C1C(C)=CC=C(OCC)C1CO.
What is the InChIKey of (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is OWKQOOWZFYMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-13-11-6-5-8(2)9(3)10(11)7-12/h5-6,10,12H,3-4,7H2,1-2H3.
What are the key properties of (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol?
(2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 180.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 163853574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).