(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

C23H30O2 — CID 10712074

IUPAC(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESCC(C)c1ccc2c(c1)C(C)(C)[C@]2(O)C(C)(C)[C@H](O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-15(2)17-12-13-18-19(14-17)21(3,4)23(18,25)22(5,6)20(24)16-10-8-7-9-11-16/h7-15,20,24-25H,1-6H3/t20-,23+/m1/s1
InChIKeyCTGYQVYZPGCBFI-OFNKIYASSA-N
MW338.49 g/mol
LogP5.05
Rot. Bonds4

About (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (PubChem CID 10712074) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.

Molecular Properties

Compound Name(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
PubChem CID10712074
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESCC(C)c1ccc2c(c1)C(C)(C)[C@]2(O)C(C)(C)[C@H](O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-15(2)17-12-13-18-19(14-17)21(3,4)23(18,25)22(5,6)20(24)16-10-8-7-9-11-16/h7-15,20,24-25H,1-6H3/t20-,23+/m1/s1
InChIKeyCTGYQVYZPGCBFI-OFNKIYASSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol 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 (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The IUPAC name of (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (CID 10712074) is (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.
What is the SMILES notation for (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The canonical SMILES for (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is CC(C)c1ccc2c(c1)C(C)(C)[C@]2(O)C(C)(C)[C@H](O)c1ccccc1.
What is the InChIKey of (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The InChIKey is CTGYQVYZPGCBFI-OFNKIYASSA-N. The full InChI is InChI=1S/C23H30O2/c1-15(2)17-12-13-18-19(14-17)21(3,4)23(18,25)22(5,6)20(24)16-10-8-7-9-11-16/h7-15,20,24-25H,1-6H3/t20-,23+/m1/s1.
What are the key properties of (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
(7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol has a molecular weight of 338.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(1R)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]-8,8-dimethyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is sourced from PubChem (CID 10712074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).