(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol

C18H22O4 — CID 143381948

IUPAC(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol
SMILESCOC1=CCC=C(CO)C2(OC)CC12OCc1ccccc1
InChIInChI=1S/C18H22O4/c1-20-16-10-6-9-15(11-19)17(21-2)13-18(16,17)22-12-14-7-4-3-5-8-14/h3-5,7-10,19H,6,11-13H2,1-2H3
InChIKeyDOHZCZRMYTZMDP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.58
Rot. Bonds6

About (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol

(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol (PubChem CID 143381948) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol.

Molecular Properties

Compound Name(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol
PubChem CID143381948
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol
SMILESCOC1=CCC=C(CO)C2(OC)CC12OCc1ccccc1
InChIInChI=1S/C18H22O4/c1-20-16-10-6-9-15(11-19)17(21-2)13-18(16,17)22-12-14-7-4-3-5-8-14/h3-5,7-10,19H,6,11-13H2,1-2H3
InChIKeyDOHZCZRMYTZMDP-UHFFFAOYSA-N
XLogP2.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 164919372
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methanol;phenylmethanol
CID 19822462
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
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CID 174456658

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol?
The IUPAC name of (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol (CID 143381948) is (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol.
What is the SMILES notation for (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol?
The canonical SMILES for (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol is COC1=CCC=C(CO)C2(OC)CC12OCc1ccccc1.
What is the InChIKey of (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol?
The InChIKey is DOHZCZRMYTZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-20-16-10-6-9-15(11-19)17(21-2)13-18(16,17)22-12-14-7-4-3-5-8-14/h3-5,7-10,19H,6,11-13H2,1-2H3.
What are the key properties of (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol?
(1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol has a molecular weight of 302.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethoxy-7-phenylmethoxy-2-bicyclo[5.1.0]octa-2,5-dienyl)methanol is sourced from PubChem (CID 143381948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).