2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan

C24H22O — CID 174646359

IUPAC2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan
SMILESCc1cc(-c2ccco2)c2c3c(ccc2c1)C1=C(CC3)C(C)CC=C1
InChIInChI=1S/C24H22O/c1-15-13-17-8-9-20-19-6-3-5-16(2)18(19)10-11-21(20)24(17)22(14-15)23-7-4-12-25-23/h3-4,6-9,12-14,16H,5,10-11H2,1-2H3
InChIKeyVAROVXYZIWBNJG-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.70
Rot. Bonds1

About 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan

2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan (PubChem CID 174646359) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan.

Molecular Properties

Compound Name2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan
PubChem CID174646359
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan
SMILESCc1cc(-c2ccco2)c2c3c(ccc2c1)C1=C(CC3)C(C)CC=C1
InChIInChI=1S/C24H22O/c1-15-13-17-8-9-20-19-6-3-5-16(2)18(19)10-11-21(20)24(17)22(14-15)23-7-4-12-25-23/h3-4,6-9,12-14,16H,5,10-11H2,1-2H3
InChIKeyVAROVXYZIWBNJG-UHFFFAOYSA-N
XLogP6.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan?
The IUPAC name of 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan (CID 174646359) is 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan.
What is the SMILES notation for 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan?
The canonical SMILES for 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan is Cc1cc(-c2ccco2)c2c3c(ccc2c1)C1=C(CC3)C(C)CC=C1.
What is the InChIKey of 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan?
The InChIKey is VAROVXYZIWBNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-15-13-17-8-9-20-19-6-3-5-16(2)18(19)10-11-21(20)24(17)22(14-15)23-7-4-12-25-23/h3-4,6-9,12-14,16H,5,10-11H2,1-2H3.
What are the key properties of 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan?
2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan has a molecular weight of 326.44 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan is sourced from PubChem (CID 174646359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).