4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol

C19H18F2O2 — CID 67101433

IUPAC4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol
SMILESCc1ccc2c(c1)C1(c3ccc(O)cc3)CCC(F)(F)CC1O2
InChIInChI=1S/C19H18F2O2/c1-12-2-7-16-15(10-12)19(13-3-5-14(22)6-4-13)9-8-18(20,21)11-17(19)23-16/h2-7,10,17,22H,8-9,11H2,1H3
InChIKeyKORNZXVHQRGIFN-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.57
Rot. Bonds1

About 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol

4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol (PubChem CID 67101433) has the molecular formula C19H18F2O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol.

Molecular Properties

Compound Name4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol
PubChem CID67101433
Molecular FormulaC19H18F2O2
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol
SMILESCc1ccc2c(c1)C1(c3ccc(O)cc3)CCC(F)(F)CC1O2
InChIInChI=1S/C19H18F2O2/c1-12-2-7-16-15(10-12)19(13-3-5-14(22)6-4-13)9-8-18(20,21)11-17(19)23-16/h2-7,10,17,22H,8-9,11H2,1H3
InChIKeyKORNZXVHQRGIFN-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol?
The IUPAC name of 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol (CID 67101433) is 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol.
What is the SMILES notation for 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol?
The canonical SMILES for 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol is Cc1ccc2c(c1)C1(c3ccc(O)cc3)CCC(F)(F)CC1O2.
What is the InChIKey of 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol?
The InChIKey is KORNZXVHQRGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2/c1-12-2-7-16-15(10-12)19(13-3-5-14(22)6-4-13)9-8-18(20,21)11-17(19)23-16/h2-7,10,17,22H,8-9,11H2,1H3.
What are the key properties of 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol?
4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol has a molecular weight of 316.35 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-difluoro-2-methyl-5a,6,8,9-tetrahydrodibenzofuran-9a-yl)phenol is sourced from PubChem (CID 67101433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).