4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol

C18H26O3 — CID 141490838

IUPAC4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
SMILESCc1ccccc1COC1CC2CC(OC2(C)C)C1(C)O
InChIInChI=1S/C18H26O3/c1-12-7-5-6-8-13(12)11-20-15-9-14-10-16(18(15,4)19)21-17(14,2)3/h5-8,14-16,19H,9-11H2,1-4H3
InChIKeyYOZPBBJIEMBKAD-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.22
Rot. Bonds3

About 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol

4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol (PubChem CID 141490838) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
PubChem CID141490838
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
SMILESCc1ccccc1COC1CC2CC(OC2(C)C)C1(C)O
InChIInChI=1S/C18H26O3/c1-12-7-5-6-8-13(12)11-20-15-9-14-10-16(18(15,4)19)21-17(14,2)3/h5-8,14-16,19H,9-11H2,1-4H3
InChIKeyYOZPBBJIEMBKAD-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7,7-trimethyl-3-phenylmethoxy-6-oxabicyclo[3.2.1]octan-4-ol
CID 141490840
(1S,3S,6S,7S,9S)-1,7-dimethyl-9-[(2-methylphenyl)methoxy]-2-oxatricyclo[4.3.1.03,7]decane
CID 67807049
6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
CID 70490295
(1S,2R,4R,5S)-1-methyl-2,5-bis[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571408
(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
(1S,2R,4R,5S)-5-chloro-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571526
2,2,4-trimethyl-5-[(2-methylphenyl)methoxy]-1,3-dioxane
CID 70594186
cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol
CID 134599366
2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622364
N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 70475914
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol (CID 141490838) is 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol is Cc1ccccc1COC1CC2CC(OC2(C)C)C1(C)O.
What is the InChIKey of 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol?
The InChIKey is YOZPBBJIEMBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-7-5-6-8-13(12)11-20-15-9-14-10-16(18(15,4)19)21-17(14,2)3/h5-8,14-16,19H,9-11H2,1-4H3.
What are the key properties of 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol?
4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol has a molecular weight of 290.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 141490838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).