1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol

C16H24O2 — CID 116713215

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)CC1Cc2ccccc21)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-16(2,3)15(18-4)14(17)10-12-9-11-7-5-6-8-13(11)12/h5-8,12,14-15,17H,9-10H2,1-4H3
InChIKeyMQYNNLVGOMRQDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.14
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol (PubChem CID 116713215) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
PubChem CID116713215
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)CC1Cc2ccccc21)C(C)(C)C
InChIInChI=1S/C16H24O2/c1-16(2,3)15(18-4)14(17)10-12-9-11-7-5-6-8-13(11)12/h5-8,12,14-15,17H,9-10H2,1-4H3
InChIKeyMQYNNLVGOMRQDZ-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4-methylpentan-2-ol
CID 116712060
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethoxy-3-methylpentan-2-ol
CID 116752273
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197333
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927663
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-3-methylbutan-2-one
CID 79197153
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79054173
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol (CID 116713215) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol is COC(C(O)CC1Cc2ccccc21)C(C)(C)C.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The InChIKey is MQYNNLVGOMRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)15(18-4)14(17)10-12-9-11-7-5-6-8-13(11)12/h5-8,12,14-15,17H,9-10H2,1-4H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).