4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol

C23H30O2 — CID 69418838

IUPAC4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCc1cc2c(cc1C1(O)CCCc3occc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O2/c1-15-13-18-19(22(4,5)11-10-21(18,2)3)14-17(15)23(24)9-6-7-20-16(23)8-12-25-20/h8,12-14,24H,6-7,9-11H2,1-5H3
InChIKeySFVYGAKWWSTMGJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.51
Rot. Bonds1

About 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 69418838) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID69418838
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCc1cc2c(cc1C1(O)CCCc3occc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O2/c1-15-13-18-19(22(4,5)11-10-21(18,2)3)14-17(15)23(24)9-6-7-20-16(23)8-12-25-20/h8,12-14,24H,6-7,9-11H2,1-5H3
InChIKeySFVYGAKWWSTMGJ-UHFFFAOYSA-N
XLogP5.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 69418838) is 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol is Cc1cc2c(cc1C1(O)CCCc3occc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is SFVYGAKWWSTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-15-13-18-19(22(4,5)11-10-21(18,2)3)14-17(15)23(24)9-6-7-20-16(23)8-12-25-20/h8,12-14,24H,6-7,9-11H2,1-5H3.
What are the key properties of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 338.49 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 69418838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).