7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene

C26H24O2 — CID 174419815

IUPAC7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene
SMILESCOc1ccc(-c2cccc3c2CCc2c-3ccc3c2CCC=C3)cc1OC
InChIInChI=1S/C26H24O2/c1-27-25-15-11-18(16-26(25)28-2)20-8-5-9-21-23(20)14-13-22-19-7-4-3-6-17(19)10-12-24(21)22/h3,5-6,8-12,15-16H,4,7,13-14H2,1-2H3
InChIKeyYXKDKICNBPGQGT-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.10
Rot. Bonds3

About 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene

7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene (PubChem CID 174419815) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene
PubChem CID174419815
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene
SMILESCOc1ccc(-c2cccc3c2CCc2c-3ccc3c2CCC=C3)cc1OC
InChIInChI=1S/C26H24O2/c1-27-25-15-11-18(16-26(25)28-2)20-8-5-9-21-23(20)14-13-22-19-7-4-3-6-17(19)10-12-24(21)22/h3,5-6,8-12,15-16H,4,7,13-14H2,1-2H3
InChIKeyYXKDKICNBPGQGT-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene (CID 174419815) is 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene is COc1ccc(-c2cccc3c2CCc2c-3ccc3c2CCC=C3)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene?
The InChIKey is YXKDKICNBPGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-27-25-15-11-18(16-26(25)28-2)20-8-5-9-21-23(20)14-13-22-19-7-4-3-6-17(19)10-12-24(21)22/h3,5-6,8-12,15-16H,4,7,13-14H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene?
7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene has a molecular weight of 368.48 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene is sourced from PubChem (CID 174419815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).