2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene

C14H12O — CID 174806926

IUPAC2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESCOc1cccc2c1C2c1ccccc1
InChIInChI=1S/C14H12O/c1-15-12-9-5-8-11-13(14(11)12)10-6-3-2-4-7-10/h2-9,13H,1H3
InChIKeyADZPAGJBJCOFSY-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.19
Rot. Bonds2

About 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene

2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene (PubChem CID 174806926) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene.

Molecular Properties

Compound Name2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
PubChem CID174806926
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESCOc1cccc2c1C2c1ccccc1
InChIInChI=1S/C14H12O/c1-15-12-9-5-8-11-13(14(11)12)10-6-3-2-4-7-10/h2-9,13H,1H3
InChIKeyADZPAGJBJCOFSY-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 132777321
1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
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(3R,5S,6S,8S)-11-methoxyhexacyclo[8.4.0.02,5.03,8.04,7.06,9]tetradeca-1(10),11,13-triene
CID 98556362
2-[6-(dicyanomethylidene)-10-methoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),10,12,15,17,19-octaenylidene]propanedinitrile
CID 2751882
1-(13-methoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)prop-2-en-1-one
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1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
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(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
(1R,2R,9S,10S,13S,14S)-4-methoxypentacyclo[7.5.0.02,14.03,8.010,13]tetradeca-3(8),4,6,11-tetraene
CID 98159009
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene?
The IUPAC name of 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene (CID 174806926) is 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene.
What is the SMILES notation for 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene?
The canonical SMILES for 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene is COc1cccc2c1C2c1ccccc1.
What is the InChIKey of 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene?
The InChIKey is ADZPAGJBJCOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-15-12-9-5-8-11-13(14(11)12)10-6-3-2-4-7-10/h2-9,13H,1H3.
What are the key properties of 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene?
2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene has a molecular weight of 196.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene is sourced from PubChem (CID 174806926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).