[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone

C23H24O2 — CID 23015384

IUPAC[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C2=C(C(C)(C)C)C=CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H24O2/c1-23(2,3)21-12-8-11-19(21)18-14-13-17(25-4)15-20(18)22(24)16-9-6-5-7-10-16/h5-10,12-15H,11H2,1-4H3
InChIKeyYXGAOSULLMWKQO-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.69
Rot. Bonds4

About [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone

[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone (PubChem CID 23015384) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone
PubChem CID23015384
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C2=C(C(C)(C)C)C=CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H24O2/c1-23(2,3)21-12-8-11-19(21)18-14-13-17(25-4)15-20(18)22(24)16-9-6-5-7-10-16/h5-10,12-15H,11H2,1-4H3
InChIKeyYXGAOSULLMWKQO-UHFFFAOYSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone
CID 23014757
CID 175499515
CID 175499515
CID 172864174
CID 172864174
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
2-benzoyl-5-methoxybenzenesulfonoperoxoic acid
CID 23023842
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
methyl (E)-3-(2-benzoyl-4-methoxyphenyl)prop-2-enoate
CID 122392377
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone?
The IUPAC name of [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone (CID 23015384) is [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone is COc1ccc(C2=C(C(C)(C)C)C=CC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone?
The InChIKey is YXGAOSULLMWKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-23(2,3)21-12-8-11-19(21)18-14-13-17(25-4)15-20(18)22(24)16-9-6-5-7-10-16/h5-10,12-15H,11H2,1-4H3.
What are the key properties of [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone?
[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone has a molecular weight of 332.44 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 23015384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).