CID 101241031

C25H27O4 — CID 101241031

IUPAC—
SMILESCCOC(=O)C1CC1([CH]C1CC1(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C25H27O4/c1-3-28-22(26)21-17-24(21,23(27)29-4-2)15-20-16-25(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-21H,3-4,16-17H2,1-2H3
InChIKeyPTALNOPTXXARQG-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.33
Rot. Bonds8

About CID 101241031

CID 101241031 (PubChem CID 101241031) has the molecular formula C25H27O4 and a molecular weight of 391.49 g/mol.

Molecular Properties

Compound NameCID 101241031
PubChem CID101241031
Molecular FormulaC25H27O4
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name—
SMILESCCOC(=O)C1CC1([CH]C1CC1(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C25H27O4/c1-3-28-22(26)21-17-24(21,23(27)29-4-2)15-20-16-25(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-21H,3-4,16-17H2,1-2H3
InChIKeyPTALNOPTXXARQG-UHFFFAOYSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (Z)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
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ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
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ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347534
diethyl 2-[(2,2-diphenylcyclopropyl)methylidene]pentanedioate
CID 91298781
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
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cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
CID 12719751
ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
CID 568159
cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400
CID 101241030
CID 101241030
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327

Frequently Asked Questions

What is the IUPAC name of CID 101241031?
The IUPAC name of CID 101241031 (CID 101241031) is not available.
What is the SMILES notation for CID 101241031?
The canonical SMILES for CID 101241031 is CCOC(=O)C1CC1([CH]C1CC1(c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of CID 101241031?
The InChIKey is PTALNOPTXXARQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O4/c1-3-28-22(26)21-17-24(21,23(27)29-4-2)15-20-16-25(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-21H,3-4,16-17H2,1-2H3.
What are the key properties of CID 101241031?
CID 101241031 has a molecular weight of 391.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101241031 is sourced from PubChem (CID 101241031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).