propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate

C28H24O2 — CID 15265094

IUPACpropan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate
SMILESCc1cccc2c1[C@H](c1c(C(=O)OC(C)C)ccc3ccccc13)c1ccccc1-2
InChIInChI=1S/C28H24O2/c1-17(2)30-28(29)24-16-15-19-10-4-5-11-20(19)26(24)27-23-13-7-6-12-21(23)22-14-8-9-18(3)25(22)27/h4-17,27H,1-3H3/t27-/m1/s1
InChIKeyILOIWSVOPPWORT-HHHXNRCGSA-N
MW392.50 g/mol
LogP6.87
Rot. Bonds3

About propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate

propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate (PubChem CID 15265094) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate
PubChem CID15265094
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Namepropan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate
SMILESCc1cccc2c1[C@H](c1c(C(=O)OC(C)C)ccc3ccccc13)c1ccccc1-2
InChIInChI=1S/C28H24O2/c1-17(2)30-28(29)24-16-15-19-10-4-5-11-20(19)26(24)27-23-13-7-6-12-21(23)22-14-8-9-18(3)25(22)27/h4-17,27H,1-3H3/t27-/m1/s1
InChIKeyILOIWSVOPPWORT-HHHXNRCGSA-N
XLogP6.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate 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 propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate?
The IUPAC name of propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate (CID 15265094) is propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate?
The canonical SMILES for propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate is Cc1cccc2c1[C@H](c1c(C(=O)OC(C)C)ccc3ccccc13)c1ccccc1-2.
What is the InChIKey of propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate?
The InChIKey is ILOIWSVOPPWORT-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24O2/c1-17(2)30-28(29)24-16-15-19-10-4-5-11-20(19)26(24)27-23-13-7-6-12-21(23)22-14-8-9-18(3)25(22)27/h4-17,27H,1-3H3/t27-/m1/s1.
What are the key properties of propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate?
propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[(9R)-1-methyl-9H-fluoren-9-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 15265094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).